(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide

C21H27ClN4O4S — CID 40843057

IUPAC(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27ClN4O4S/c1-14-6-11-17(12-18(14)31(29,30)25(3)4)24-19(27)13-26(5)20(21(28)23-2)15-7-9-16(22)10-8-15/h6-12,20H,13H2,1-5H3,(H,23,28)(H,24,27)/t20-/m0/s1
InChIKeyHSLAFPBEORJJFE-FQEVSTJZSA-N
MW466.99 g/mol
LogP2.26
Rot. Bonds8

About (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide

(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 40843057) has the molecular formula C21H27ClN4O4S and a molecular weight of 466.99 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID40843057
Molecular FormulaC21H27ClN4O4S
Molecular Weight466.99 g/mol
Exact Mass466.14
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27ClN4O4S/c1-14-6-11-17(12-18(14)31(29,30)25(3)4)24-19(27)13-26(5)20(21(28)23-2)15-7-9-16(22)10-8-15/h6-12,20H,13H2,1-5H3,(H,23,28)(H,24,27)/t20-/m0/s1
InChIKeyHSLAFPBEORJJFE-FQEVSTJZSA-N
XLogP2.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-hydroxyacetamide
CID 154862984
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062879
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 17468364
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide (CID 40843057) is (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is HSLAFPBEORJJFE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27ClN4O4S/c1-14-6-11-17(12-18(14)31(29,30)25(3)4)24-19(27)13-26(5)20(21(28)23-2)15-7-9-16(22)10-8-15/h6-12,20H,13H2,1-5H3,(H,23,28)(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide?
(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 466.99 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 40843057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).