4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C22H31N3O4S — CID 92673224

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H31N3O4S/c1-16(2)15-21(17-9-13-20(29-6)14-10-17)23-22(26)18-7-11-19(12-8-18)25(5)30(27,28)24(3)4/h7-14,16,21H,15H2,1-6H3,(H,23,26)/t21-/m0/s1
InChIKeyMPLHWTCZCZPJRB-NRFANRHFSA-N
MW433.57 g/mol
LogP3.45
Rot. Bonds9

About 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 92673224) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID92673224
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H31N3O4S/c1-16(2)15-21(17-9-13-20(29-6)14-10-17)23-22(26)18-7-11-19(12-8-18)25(5)30(27,28)24(3)4/h7-14,16,21H,15H2,1-6H3,(H,23,26)/t21-/m0/s1
InChIKeyMPLHWTCZCZPJRB-NRFANRHFSA-N
XLogP3.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 92647501
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43904544
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
2-[N-(dimethylsulfamoyl)anilino]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 99949630
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125059378
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 92673224) is 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is MPLHWTCZCZPJRB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16(2)15-21(17-9-13-20(29-6)14-10-17)23-22(26)18-7-11-19(12-8-18)25(5)30(27,28)24(3)4/h7-14,16,21H,15H2,1-6H3,(H,23,26)/t21-/m0/s1.
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 433.57 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 92673224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).