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

C58H78ClN5O12S4 — CID 87610373

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
SMILESCC(C)(C(=O)Nc1ccc2ccccc2n1)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.C19H24N2O4S/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)13-14-9-11-25-12-10-14)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);3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeyOFGUEVOQIDOWGG-UHFFFAOYSA-N
MW1201.01 g/mol
LogP10.36
Rot. Bonds16

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

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 (PubChem CID 87610373) has the molecular formula C58H78ClN5O12S4 and a molecular weight of 1201.01 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.

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
PubChem CID87610373
Molecular FormulaC58H78ClN5O12S4
Molecular Weight1201.01 g/mol
Exact Mass1199.42
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
SMILESCC(C)(C(=O)Nc1ccc2ccccc2n1)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.C19H24N2O4S/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)13-14-9-11-25-12-10-14)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);3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeyOFGUEVOQIDOWGG-UHFFFAOYSA-N
XLogP10.36
TPSA243.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.01
LogP ≤ 510.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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 with MolForge

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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?
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 (CID 87610373) 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.
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?
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 is CC(C)(C(=O)Nc1ccc2ccccc2n1)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?
The InChIKey is OFGUEVOQIDOWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S.C19H23ClN2O4S2.C19H24N2O4S/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)13-14-9-11-25-12-10-14)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);3-8,14H,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?
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 has a molecular weight of 1201.01 g/mol, XLogP of 10.36, 16 rotatable bonds, 3 hydrogen bond donors, and 15 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 is sourced from PubChem (CID 87610373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).