3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

C26H30N2O3S — CID 99949025

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-6-24(21-11-7-17(2)8-12-21)27-26(29)22-13-9-19(4)25(16-22)32(30,31)28-23-14-10-18(3)20(5)15-23/h7-16,24,28H,6H2,1-5H3,(H,27,29)/t24-/m0/s1
InChIKeyUJHGPEHGOJWZLP-DEOSSOPVSA-N
MW450.60 g/mol
LogP5.60
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 99949025) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
PubChem CID99949025
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-6-24(21-11-7-17(2)8-12-21)27-26(29)22-13-9-19(4)25(16-22)32(30,31)28-23-14-10-18(3)20(5)15-23/h7-16,24,28H,6H2,1-5H3,(H,27,29)/t24-/m0/s1
InChIKeyUJHGPEHGOJWZLP-DEOSSOPVSA-N
XLogP5.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 132612837
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92686080
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (CID 99949025) is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is UJHGPEHGOJWZLP-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-6-24(21-11-7-17(2)8-12-21)27-26(29)22-13-9-19(4)25(16-22)32(30,31)28-23-14-10-18(3)20(5)15-23/h7-16,24,28H,6H2,1-5H3,(H,27,29)/t24-/m0/s1.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 450.60 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 99949025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).