4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide

C24H26N2O3S2 — CID 28633363

IUPAC4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S2/c1-4-23(18-8-6-5-7-9-18)25-24(27)19-10-12-20(13-11-19)26(2)31(28,29)22-16-14-21(30-3)15-17-22/h5-17,23H,4H2,1-3H3,(H,25,27)/t23-/m0/s1
InChIKeyBRWLBQXDJOBADT-QHCPKHFHSA-N
MW454.62 g/mol
LogP5.11
Rot. Bonds8

About 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide

4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide (PubChem CID 28633363) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
PubChem CID28633363
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S2/c1-4-23(18-8-6-5-7-9-18)25-24(27)19-10-12-20(13-11-19)26(2)31(28,29)22-16-14-21(30-3)15-17-22/h5-17,23H,4H2,1-3H3,(H,25,27)/t23-/m0/s1
InChIKeyBRWLBQXDJOBADT-QHCPKHFHSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 28631973
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
3-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132667870
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 99957303
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864605
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide (CID 28633363) is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide is CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide?
The InChIKey is BRWLBQXDJOBADT-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-4-23(18-8-6-5-7-9-18)25-24(27)19-10-12-20(13-11-19)26(2)31(28,29)22-16-14-21(30-3)15-17-22/h5-17,23H,4H2,1-3H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide?
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide has a molecular weight of 454.62 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide is sourced from PubChem (CID 28633363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).