3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

C24H26N2O5S — CID 100610475

IUPAC3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O5S/c1-17(22-16-20(30-3)13-14-23(22)31-4)25-24(27)18-9-8-10-19(15-18)26(2)32(28,29)21-11-6-5-7-12-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyPPPCPNNOYUPQPN-QGZVFWFLSA-N
MW454.55 g/mol
LogP4.02
Rot. Bonds8

About 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 100610475) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID100610475
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O5S/c1-17(22-16-20(30-3)13-14-23(22)31-4)25-24(27)18-9-8-10-19(15-18)26(2)32(28,29)21-11-6-5-7-12-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyPPPCPNNOYUPQPN-QGZVFWFLSA-N
XLogP4.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 125043041
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100759380

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (CID 100610475) is 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is PPPCPNNOYUPQPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17(22-16-20(30-3)13-14-23(22)31-4)25-24(27)18-9-8-10-19(15-18)26(2)32(28,29)21-11-6-5-7-12-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 100610475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).