N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C82H127F3N10O18S7 — CID 173123392

IUPACN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)c1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1c(C)c(-c2ccccc2)nn1C.CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(CC(C)(C)C)no1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C20H31NO4S.C18H25N3O3S.C15H26N2O4S.C15H26N2O3S2.C14H19F3N2O4S2/c1-19(2,3)16-7-6-8-17(13-16)21-18(22)20(4,5)26(23,24)14-15-9-11-25-12-10-15;1-6-12-25(23,24)18(3,4)17(22)19-16-13(2)15(20-21(16)5)14-10-8-7-9-11-14;1-7-8-22(19,20)15(5,6)13(18)16-12-9-11(17-21-12)10-14(2,3)4;1-8-9-22(19,20)15(6,7)12(18)17-13-16-10(2)11(21-13)14(3,4)5;1-13(2,25(21,22)8-9-3-5-23-6-4-9)11(20)19-12-18-10(7-24-12)14(15,16)17/h6-8,13,15H,9-12,14H2,1-5H3,(H,21,22);7-11H,6,12H2,1-5H3,(H,19,22);9H,7-8,10H2,1-6H3,(H,16,18);8-9H2,1-7H3,(H,16,17,18);7,9H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyDTTLSWOIWJTJIB-UHFFFAOYSA-N
MW1822.43 g/mol
LogP15.30
Rot. Bonds27

About N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 173123392) has the molecular formula C82H127F3N10O18S7 and a molecular weight of 1822.43 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID173123392
Molecular FormulaC82H127F3N10O18S7
Molecular Weight1822.43 g/mol
Exact Mass1820.73
IUPAC NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)c1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1c(C)c(-c2ccccc2)nn1C.CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(CC(C)(C)C)no1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C20H31NO4S.C18H25N3O3S.C15H26N2O4S.C15H26N2O3S2.C14H19F3N2O4S2/c1-19(2,3)16-7-6-8-17(13-16)21-18(22)20(4,5)26(23,24)14-15-9-11-25-12-10-15;1-6-12-25(23,24)18(3,4)17(22)19-16-13(2)15(20-21(16)5)14-10-8-7-9-11-14;1-7-8-22(19,20)15(5,6)13(18)16-12-9-11(17-21-12)10-14(2,3)4;1-8-9-22(19,20)15(6,7)12(18)17-13-16-10(2)11(21-13)14(3,4)5;1-13(2,25(21,22)8-9-3-5-23-6-4-9)11(20)19-12-18-10(7-24-12)14(15,16)17/h6-8,13,15H,9-12,14H2,1-5H3,(H,21,22);7-11H,6,12H2,1-5H3,(H,19,22);9H,7-8,10H2,1-6H3,(H,16,18);8-9H2,1-7H3,(H,16,17,18);7,9H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyDTTLSWOIWJTJIB-UHFFFAOYSA-N
XLogP15.30
TPSA404.29 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.43
LogP ≤ 515.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 173123392) is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)c1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1c(C)c(-c2ccccc2)nn1C.CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(CC(C)(C)C)no1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DTTLSWOIWJTJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S.C18H25N3O3S.C15H26N2O4S.C15H26N2O3S2.C14H19F3N2O4S2/c1-19(2,3)16-7-6-8-17(13-16)21-18(22)20(4,5)26(23,24)14-15-9-11-25-12-10-15;1-6-12-25(23,24)18(3,4)17(22)19-16-13(2)15(20-21(16)5)14-10-8-7-9-11-14;1-7-8-22(19,20)15(5,6)13(18)16-12-9-11(17-21-12)10-14(2,3)4;1-8-9-22(19,20)15(6,7)12(18)17-13-16-10(2)11(21-13)14(3,4)5;1-13(2,25(21,22)8-9-3-5-23-6-4-9)11(20)19-12-18-10(7-24-12)14(15,16)17/h6-8,13,15H,9-12,14H2,1-5H3,(H,21,22);7-11H,6,12H2,1-5H3,(H,19,22);9H,7-8,10H2,1-6H3,(H,16,18);8-9H2,1-7H3,(H,16,17,18);7,9H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 1822.43 g/mol, XLogP of 15.30, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 173123392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).