(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide

C22H22N2O3S — CID 124596255

IUPAC(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-17(24-28(26,27)20-15-9-4-10-16-20)22(25)23-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21,24H,1H3,(H,23,25)/t17-/m0/s1
InChIKeyAJNVTRKFGZBNHU-KRWDZBQOSA-N
MW394.50 g/mol
LogP3.26
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide

(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide (PubChem CID 124596255) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
PubChem CID124596255
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-17(24-28(26,27)20-15-9-4-10-16-20)22(25)23-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21,24H,1H3,(H,23,25)/t17-/m0/s1
InChIKeyAJNVTRKFGZBNHU-KRWDZBQOSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide (CID 124596255) is (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide?
The InChIKey is AJNVTRKFGZBNHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17(24-28(26,27)20-15-9-4-10-16-20)22(25)23-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,21,24H,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide?
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide has a molecular weight of 394.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide is sourced from PubChem (CID 124596255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).