(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide

C21H19ClN2O3S — CID 92842730

IUPAC(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@@H](NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c22-18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21(25)24-28(26,27)19-9-5-2-6-10-19/h1-14,20,23H,15H2,(H,24,25)/t20-/m0/s1
InChIKeyDPOZNVVTRGIDKS-FQEVSTJZSA-N
MW414.91 g/mol
LogP3.68
Rot. Bonds7

About (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide

(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide (PubChem CID 92842730) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
PubChem CID92842730
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@@H](NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c22-18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21(25)24-28(26,27)19-9-5-2-6-10-19/h1-14,20,23H,15H2,(H,24,25)/t20-/m0/s1
InChIKeyDPOZNVVTRGIDKS-FQEVSTJZSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 68967185
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
CID 51961574
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
CID 51961571
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide (CID 92842730) is (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide is O=C(NS(=O)(=O)c1ccccc1)[C@@H](NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide?
The InChIKey is DPOZNVVTRGIDKS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-18-13-11-16(12-14-18)15-23-20(17-7-3-1-4-8-17)21(25)24-28(26,27)19-9-5-2-6-10-19/h1-14,20,23H,15H2,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide?
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide has a molecular weight of 414.91 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide is sourced from PubChem (CID 92842730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).