(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide

C18H22N2O5S2 — CID 9042138

IUPAC(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
SMILESCc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-14-8-10-15(11-9-14)19-18(21)17(12-13-26(2,22)23)20-27(24,25)16-6-4-3-5-7-16/h3-11,17,20H,12-13H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRGVARXIAUXWHDV-KRWDZBQOSA-N
MW410.52 g/mol
LogP1.72
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide

(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide (PubChem CID 9042138) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
PubChem CID9042138
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
SMILESCc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-14-8-10-15(11-9-14)19-18(21)17(12-13-26(2,22)23)20-27(24,25)16-6-4-3-5-7-16/h3-11,17,20H,12-13H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRGVARXIAUXWHDV-KRWDZBQOSA-N
XLogP1.72
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
N-(1-adamantyl)-2-(benzenesulfonamido)-4-methylsulfonylbutanamide
CID 45353404
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(4-methylphenyl)thiourea
CID 139248529
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
N-(4-tert-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46651070
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide (CID 9042138) is (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide is Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide?
The InChIKey is RGVARXIAUXWHDV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-14-8-10-15(11-9-14)19-18(21)17(12-13-26(2,22)23)20-27(24,25)16-6-4-3-5-7-16/h3-11,17,20H,12-13H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide?
(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide has a molecular weight of 410.52 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 9042138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).