4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

C20H26N2O4S — CID 9048728

IUPAC4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)19(15-6-10-17(26-5)11-7-15)21-20(23)16-8-12-18(13-9-16)27(24,25)22(3)4/h6-14,19H,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyNOHUKVSKMSCPFB-IBGZPJMESA-N
MW390.51 g/mol
LogP3.07
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 9048728) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID9048728
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)19(15-6-10-17(26-5)11-7-15)21-20(23)16-8-12-18(13-9-16)27(24,25)22(3)4/h6-14,19H,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyNOHUKVSKMSCPFB-IBGZPJMESA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
3-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218999
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 9048728) is 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is NOHUKVSKMSCPFB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)19(15-6-10-17(26-5)11-7-15)21-20(23)16-8-12-18(13-9-16)27(24,25)22(3)4/h6-14,19H,1-5H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 9048728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).