4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C24H26N2O5S — CID 12005310

IUPAC4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-30-22-13-10-18(16-23(22)31-2)14-15-25-24(27)20-11-8-19(9-12-20)17-26-32(28,29)21-6-4-3-5-7-21/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyQNXAWAFKOBEEME-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.15
Rot. Bonds10

About 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 12005310) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID12005310
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-30-22-13-10-18(16-23(22)31-2)14-15-25-24(27)20-11-8-19(9-12-20)17-26-32(28,29)21-6-4-3-5-7-21/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyQNXAWAFKOBEEME-UHFFFAOYSA-N
XLogP3.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 12005310) is 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is QNXAWAFKOBEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-30-22-13-10-18(16-23(22)31-2)14-15-25-24(27)20-11-8-19(9-12-20)17-26-32(28,29)21-6-4-3-5-7-21/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 12005310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).