2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

C18H20ClN3O4S — CID 9479366

IUPAC2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)ccc1C
InChIInChI=1S/C18H20ClN3O4S/c1-11-8-9-13(10-16(11)27(25,26)20-3)22-17(23)12(2)21-18(24)14-6-4-5-7-15(14)19/h4-10,12,20H,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeySEFPGNRDBRXVQG-LBPRGKRZSA-N
MW409.90 g/mol
LogP2.31
Rot. Bonds6

About 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 9479366) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID9479366
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)ccc1C
InChIInChI=1S/C18H20ClN3O4S/c1-11-8-9-13(10-16(11)27(25,26)20-3)22-17(23)12(2)21-18(24)14-6-4-5-7-15(14)19/h4-10,12,20H,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeySEFPGNRDBRXVQG-LBPRGKRZSA-N
XLogP2.31
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8542629
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (CID 9479366) is 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)ccc1C.
What is the InChIKey of 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is SEFPGNRDBRXVQG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-11-8-9-13(10-16(11)27(25,26)20-3)22-17(23)12(2)21-18(24)14-6-4-5-7-15(14)19/h4-10,12,20H,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 9479366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).