3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

C24H26N2O5S — CID 28557709

IUPAC3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17(19-9-12-21(30-2)13-10-19)26-24(27)20-11-14-22(31-3)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-/m1/s1
InChIKeyIFCNNPLLICWFSZ-QGZVFWFLSA-N
MW454.55 g/mol
LogP3.67
Rot. Bonds9

About 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 28557709) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID28557709
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17(19-9-12-21(30-2)13-10-19)26-24(27)20-11-14-22(31-3)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-/m1/s1
InChIKeyIFCNNPLLICWFSZ-QGZVFWFLSA-N
XLogP3.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28557720
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide (CID 28557709) is 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is IFCNNPLLICWFSZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17(19-9-12-21(30-2)13-10-19)26-24(27)20-11-14-22(31-3)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-/m1/s1.
What are the key properties of 3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.67, 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-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 28557709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).