N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide

C77H102ClN7O16S5 — CID 173119414

IUPACN-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1
InChIInChI=1S/C20H31NO4S.C19H23ClN2O4S2.2C19H24N2O4S/c1-19(2,3)16-6-8-17(9-7-16)21-18(22)20(4,5)26(23,24)14-15-10-12-25-13-11-15;1-19(2,28(24,25)12-13-7-9-26-10-8-13)17(23)22-18-21-16(11-27-18)14-3-5-15(20)6-4-14;1-19(2,26(23,24)13-14-7-9-25-10-8-14)18(22)21-16-11-15-5-3-4-6-17(15)20-12-16;1-19(2,26(23,24)13-14-9-11-25-12-10-14)18(22)21-17-8-7-15-5-3-4-6-16(15)20-17/h6-9,15H,10-14H2,1-5H3,(H,21,22);3-6,11,13H,7-10,12H2,1-2H3,(H,21,22,23);3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,22);3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeySRVBZIWTYYBTEF-UHFFFAOYSA-N
MW1577.48 g/mol
LogP13.15
Rot. Bonds21

About N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide

N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide (PubChem CID 173119414) has the molecular formula C77H102ClN7O16S5 and a molecular weight of 1577.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide
PubChem CID173119414
Molecular FormulaC77H102ClN7O16S5
Molecular Weight1577.48 g/mol
Exact Mass1575.57
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1
InChIInChI=1S/C20H31NO4S.C19H23ClN2O4S2.2C19H24N2O4S/c1-19(2,3)16-6-8-17(9-7-16)21-18(22)20(4,5)26(23,24)14-15-10-12-25-13-11-15;1-19(2,28(24,25)12-13-7-9-26-10-8-13)17(23)22-18-21-16(11-27-18)14-3-5-15(20)6-4-14;1-19(2,26(23,24)13-14-7-9-25-10-8-14)18(22)21-16-11-15-5-3-4-6-17(15)20-12-16;1-19(2,26(23,24)13-14-9-11-25-12-10-14)18(22)21-17-8-7-15-5-3-4-6-16(15)20-17/h6-9,15H,10-14H2,1-5H3,(H,21,22);3-6,11,13H,7-10,12H2,1-2H3,(H,21,22,23);3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,22);3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeySRVBZIWTYYBTEF-UHFFFAOYSA-N
XLogP13.15
TPSA328.55 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.48
LogP ≤ 513.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide with MolForge

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Related Compounds

CID 173117770
CID 173117770
CID 87610373
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CID 157287115
CID 157287115
CID 157293980
CID 157293980
CID 172695841
CID 172695841

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide (CID 173119414) is N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide is CC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide?
The InChIKey is SRVBZIWTYYBTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S.C19H23ClN2O4S2.2C19H24N2O4S/c1-19(2,3)16-6-8-17(9-7-16)21-18(22)20(4,5)26(23,24)14-15-10-12-25-13-11-15;1-19(2,28(24,25)12-13-7-9-26-10-8-13)17(23)22-18-21-16(11-27-18)14-3-5-15(20)6-4-14;1-19(2,26(23,24)13-14-7-9-25-10-8-14)18(22)21-16-11-15-5-3-4-6-17(15)20-12-16;1-19(2,26(23,24)13-14-9-11-25-12-10-14)18(22)21-17-8-7-15-5-3-4-6-16(15)20-17/h6-9,15H,10-14H2,1-5H3,(H,21,22);3-6,11,13H,7-10,12H2,1-2H3,(H,21,22,23);3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,22);3-8,14H,9-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide?
N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide has a molecular weight of 1577.48 g/mol, XLogP of 13.15, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-2-ylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 173119414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).