2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide

C23H24N2O4S — CID 126011407

IUPAC2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c1-18-11-13-19(14-12-18)16-25(30(27,28)22-9-4-3-5-10-22)17-23(26)24-20-7-6-8-21(15-20)29-2/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyRXLBGCWVOBIDBV-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.83
Rot. Bonds8

About 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide

2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 126011407) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID126011407
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c1-18-11-13-19(14-12-18)16-25(30(27,28)22-9-4-3-5-10-22)17-23(26)24-20-7-6-8-21(15-20)29-2/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyRXLBGCWVOBIDBV-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide (CID 126011407) is 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RXLBGCWVOBIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18-11-13-19(14-12-18)16-25(30(27,28)22-9-4-3-5-10-22)17-23(26)24-20-7-6-8-21(15-20)29-2/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 126011407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).