4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide

C19H23ClN2O3S — CID 52514330

IUPAC4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)16(14-7-5-4-6-8-14)12-21-19(23)15-9-10-17(20)18(11-15)22-26(3,24)25/h4-11,13,16,22H,12H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyJNOHBJGBBZAMOH-INIZCTEOSA-N
MW394.92 g/mol
LogP3.88
Rot. Bonds7

About 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide

4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide (PubChem CID 52514330) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
PubChem CID52514330
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)16(14-7-5-4-6-8-14)12-21-19(23)15-9-10-17(20)18(11-15)22-26(3,24)25/h4-11,13,16,22H,12H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyJNOHBJGBBZAMOH-INIZCTEOSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337
2-benzyl-3-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119233760
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide (CID 52514330) is 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide is CC(C)[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide?
The InChIKey is JNOHBJGBBZAMOH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)16(14-7-5-4-6-8-14)12-21-19(23)15-9-10-17(20)18(11-15)22-26(3,24)25/h4-11,13,16,22H,12H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide?
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide is sourced from PubChem (CID 52514330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).