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

C18H22N2O5S2 — CID 9041162

IUPAC(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O5S2/c1-26(22,23)13-12-17(18(21)19-14-15-8-4-2-5-9-15)20-27(24,25)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyQCRBYVKWDLUCNV-KRWDZBQOSA-N
MW410.52 g/mol
LogP1.08
Rot. Bonds9

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

(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide (PubChem CID 9041162) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
PubChem CID9041162
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O5S2/c1-26(22,23)13-12-17(18(21)19-14-15-8-4-2-5-9-15)20-27(24,25)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyQCRBYVKWDLUCNV-KRWDZBQOSA-N
XLogP1.08
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
CID 9042138
N-(1-adamantyl)-2-(benzenesulfonamido)-4-methylsulfonylbutanamide
CID 45353404
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9270486
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
benzyl N-[1-[[4-(2-methylpropanoylamino)phenyl]methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55794362
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-phenylpropanamide
CID 94861743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide (CID 9041162) is (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide is CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide?
The InChIKey is QCRBYVKWDLUCNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-26(22,23)13-12-17(18(21)19-14-15-8-4-2-5-9-15)20-27(24,25)16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide?
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide has a molecular weight of 410.52 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 9041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).