3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

C24H26N2O4S2 — CID 28557720

IUPAC3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-17(19-9-12-21(31-3)13-10-19)26-24(27)20-11-14-22(30-2)23(15-20)32(28,29)25-16-18-7-5-4-6-8-18/h4-15,17,25H,16H2,1-3H3,(H,26,27)/t17-/m0/s1
InChIKeyQRBWITRRWYRHIN-KRWDZBQOSA-N
MW470.62 g/mol
LogP4.39
Rot. Bonds9

About 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 28557720) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID28557720
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-17(19-9-12-21(31-3)13-10-19)26-24(27)20-11-14-22(30-2)23(15-20)32(28,29)25-16-18-7-5-4-6-8-18/h4-15,17,25H,16H2,1-3H3,(H,26,27)/t17-/m0/s1
InChIKeyQRBWITRRWYRHIN-KRWDZBQOSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28557709
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 28557822
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28543081
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 28557720) is 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is QRBWITRRWYRHIN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-17(19-9-12-21(31-3)13-10-19)26-24(27)20-11-14-22(30-2)23(15-20)32(28,29)25-16-18-7-5-4-6-8-18/h4-15,17,25H,16H2,1-3H3,(H,26,27)/t17-/m0/s1.
What are the key properties of 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 28557720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).