2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide

C18H20ClN3O4S — CID 9068604

IUPAC2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20ClN3O4S/c1-11(2)16(22-17(23)14-8-3-4-9-15(14)19)18(24)21-12-6-5-7-13(10-12)27(20,25)26/h3-11,16H,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)/t16-/m0/s1
InChIKeyNJNKPVHIFXTQNL-INIZCTEOSA-N
MW409.90 g/mol
LogP2.38
Rot. Bonds6

About 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide

2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide (PubChem CID 9068604) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
PubChem CID9068604
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20ClN3O4S/c1-11(2)16(22-17(23)14-8-3-4-9-15(14)19)18(24)21-12-6-5-7-13(10-12)27(20,25)26/h3-11,16H,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)/t16-/m0/s1
InChIKeyNJNKPVHIFXTQNL-INIZCTEOSA-N
XLogP2.38
TPSA118.36 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 ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
benzyl N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]carbamate
CID 9068605
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 25387157
2-bromo-N-[(2S)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2547276
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 51147231
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 9138264
2-chloro-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138191
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
2-chloro-N-[(2S)-1-[2,6-di(propan-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138768

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide (CID 9068604) is 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide?
The InChIKey is NJNKPVHIFXTQNL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-11(2)16(22-17(23)14-8-3-4-9-15(14)19)18(24)21-12-6-5-7-13(10-12)27(20,25)26/h3-11,16H,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide?
2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.38, 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)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide is sourced from PubChem (CID 9068604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).