2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C23H24N2O4S — CID 1298197

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(30(27,28)20-8-4-3-5-9-20)22-11-7-6-10-21(22)23(26)24-17-16-18-12-14-19(29-2)15-13-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyLYPCZLWKMQCQEN-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.49
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 1298197) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID1298197
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(30(27,28)20-8-4-3-5-9-20)22-11-7-6-10-21(22)23(26)24-17-16-18-12-14-19(29-2)15-13-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyLYPCZLWKMQCQEN-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 1298197) is 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is LYPCZLWKMQCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-25(30(27,28)20-8-4-3-5-9-20)22-11-7-6-10-21(22)23(26)24-17-16-18-12-14-19(29-2)15-13-18/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 1298197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).