3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane

C157H248ClF3N6O10S4 — CID 160887510

IUPAC3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane
SMILESCC(C)(C)C(F)(F)c1ccccc1.CC(C)(C)C1CC(=O)N(C2CCCC2)C1.CC(C)(C)C1CC(c2ccccc2)C1.CC(C)(C)C1CCCN(C(=O)c2ccoc2)C1.CC(C)(C)CCN1C(=O)CSc2ccccc21.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccccc1F.CC(C)(C)COCC1CC1.CC(C)CCS(=O)(=O)CC(C)(C)C.CCc1ccc(OCC(C)(C)C)cc1.Cc1cc(C(C)(C)C)c(Cl)s1.Cc1ccccc1CC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1
InChIInChI=1S/C16H25NO2S.C14H21NO2.C14H19NOS.C14H20.C13H23NO.C13H20O.C12H17F.C12H18.C11H14F2.C10H18N2.C10H22O2S.C9H13ClS.C9H18O/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-14(2,3)12-5-4-7-15(9-12)13(16)11-6-8-17-10-11;1-14(2,3)8-9-15-11-6-4-5-7-12(11)17-10-13(15)16;1-14(2,3)13-9-12(10-13)11-7-5-4-6-8-11;1-13(2,3)10-8-12(15)14(9-10)11-6-4-5-7-11;1-5-11-6-8-12(9-7-11)14-10-13(2,3)4;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-10-7-5-6-8-11(10)9-12(2,3)4;1-10(2,3)11(12,13)9-7-5-4-6-8-9;1-9-7-11-12(8-9)6-5-10(2,3)4;1-9(2)6-7-13(11,12)8-10(3,4)5;1-6-5-7(8(10)11-6)9(2,3)4;1-9(2,3)7-10-6-8-4-5-8/h8-9,12,17H,4-7,10-11H2,1-3H3;6,8,10,12H,4-5,7,9H2,1-3H3;4-7H,8-10H2,1-3H3;4-8,12-13H,9-10H2,1-3H3;10-11H,4-9H2,1-3H3;6-9H,5,10H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,9H2,1-4H3;4-8H,1-3H3;7-8H,5-6H2,1-4H3;9H,6-8H2,1-5H3;5H,1-4H3;8H,4-7H2,1-3H3
InChIKeySNVJJOSVDISLDN-UHFFFAOYSA-N
MW2600.46 g/mol
LogP43.54
Rot. Bonds25

About 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane

3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane (PubChem CID 160887510) has the molecular formula C157H248ClF3N6O10S4 and a molecular weight of 2600.46 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane.

Molecular Properties

Compound Name3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane
PubChem CID160887510
Molecular FormulaC157H248ClF3N6O10S4
Molecular Weight2600.46 g/mol
Exact Mass2597.76
IUPAC Name3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane
SMILESCC(C)(C)C(F)(F)c1ccccc1.CC(C)(C)C1CC(=O)N(C2CCCC2)C1.CC(C)(C)C1CC(c2ccccc2)C1.CC(C)(C)C1CCCN(C(=O)c2ccoc2)C1.CC(C)(C)CCN1C(=O)CSc2ccccc21.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccccc1F.CC(C)(C)COCC1CC1.CC(C)CCS(=O)(=O)CC(C)(C)C.CCc1ccc(OCC(C)(C)C)cc1.Cc1cc(C(C)(C)C)c(Cl)s1.Cc1ccccc1CC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1
InChIInChI=1S/C16H25NO2S.C14H21NO2.C14H19NOS.C14H20.C13H23NO.C13H20O.C12H17F.C12H18.C11H14F2.C10H18N2.C10H22O2S.C9H13ClS.C9H18O/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-14(2,3)12-5-4-7-15(9-12)13(16)11-6-8-17-10-11;1-14(2,3)8-9-15-11-6-4-5-7-12(11)17-10-13(15)16;1-14(2,3)13-9-12(10-13)11-7-5-4-6-8-11;1-13(2,3)10-8-12(15)14(9-10)11-6-4-5-7-11;1-5-11-6-8-12(9-7-11)14-10-13(2,3)4;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-10-7-5-6-8-11(10)9-12(2,3)4;1-10(2,3)11(12,13)9-7-5-4-6-8-9;1-9-7-11-12(8-9)6-5-10(2,3)4;1-9(2)6-7-13(11,12)8-10(3,4)5;1-6-5-7(8(10)11-6)9(2,3)4;1-9(2,3)7-10-6-8-4-5-8/h8-9,12,17H,4-7,10-11H2,1-3H3;6,8,10,12H,4-5,7,9H2,1-3H3;4-7H,8-10H2,1-3H3;4-8,12-13H,9-10H2,1-3H3;10-11H,4-9H2,1-3H3;6-9H,5,10H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,9H2,1-4H3;4-8H,1-3H3;7-8H,5-6H2,1-4H3;9H,6-8H2,1-5H3;5H,1-4H3;8H,4-7H2,1-3H3
InChIKeySNVJJOSVDISLDN-UHFFFAOYSA-N
XLogP43.54
TPSA190.66 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.46
LogP ≤ 543.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane?
The IUPAC name of 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane (CID 160887510) is 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane.
What is the SMILES notation for 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane?
The canonical SMILES for 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane is CC(C)(C)C(F)(F)c1ccccc1.CC(C)(C)C1CC(=O)N(C2CCCC2)C1.CC(C)(C)C1CC(c2ccccc2)C1.CC(C)(C)C1CCCN(C(=O)c2ccoc2)C1.CC(C)(C)CCN1C(=O)CSc2ccccc21.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccccc1F.CC(C)(C)COCC1CC1.CC(C)CCS(=O)(=O)CC(C)(C)C.CCc1ccc(OCC(C)(C)C)cc1.Cc1cc(C(C)(C)C)c(Cl)s1.Cc1ccccc1CC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane?
The InChIKey is SNVJJOSVDISLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S.C14H21NO2.C14H19NOS.C14H20.C13H23NO.C13H20O.C12H17F.C12H18.C11H14F2.C10H18N2.C10H22O2S.C9H13ClS.C9H18O/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-14(2,3)12-5-4-7-15(9-12)13(16)11-6-8-17-10-11;1-14(2,3)8-9-15-11-6-4-5-7-12(11)17-10-13(15)16;1-14(2,3)13-9-12(10-13)11-7-5-4-6-8-11;1-13(2,3)10-8-12(15)14(9-10)11-6-4-5-7-11;1-5-11-6-8-12(9-7-11)14-10-13(2,3)4;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-10-7-5-6-8-11(10)9-12(2,3)4;1-10(2,3)11(12,13)9-7-5-4-6-8-9;1-9-7-11-12(8-9)6-5-10(2,3)4;1-9(2)6-7-13(11,12)8-10(3,4)5;1-6-5-7(8(10)11-6)9(2,3)4;1-9(2,3)7-10-6-8-4-5-8/h8-9,12,17H,4-7,10-11H2,1-3H3;6,8,10,12H,4-5,7,9H2,1-3H3;4-7H,8-10H2,1-3H3;4-8,12-13H,9-10H2,1-3H3;10-11H,4-9H2,1-3H3;6-9H,5,10H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,9H2,1-4H3;4-8H,1-3H3;7-8H,5-6H2,1-4H3;9H,6-8H2,1-5H3;5H,1-4H3;8H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane?
3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane has a molecular weight of 2600.46 g/mol, XLogP of 43.54, 25 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloro-5-methylthiophene;(3-tert-butylcyclobutyl)benzene;4-tert-butyl-1-cyclopentylpyrrolidin-2-one;(3-tert-butylpiperidin-1-yl)-(furan-3-yl)methanone;(1,1-difluoro-2,2-dimethylpropyl)benzene;4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-methylpyrazole;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;1-(2,2-dimethylpropoxy)-4-ethylbenzene;2,2-dimethylpropoxymethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylbenzene;1-(2,2-dimethylpropylsulfonyl)-3-methylbutane is sourced from PubChem (CID 160887510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).