3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide

C22H22N2O4S — CID 18108709

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-12-10-19(11-13-20)24-29(26,27)21-9-5-8-18(16-21)22(25)23-15-14-17-6-3-2-4-7-17/h2-13,16,24H,14-15H2,1H3,(H,23,25)
InChIKeyAHWAWOLPOTVFKJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.47
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide (PubChem CID 18108709) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
PubChem CID18108709
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-12-10-19(11-13-20)24-29(26,27)21-9-5-8-18(16-21)22(25)23-15-14-17-6-3-2-4-7-17/h2-13,16,24H,14-15H2,1H3,(H,23,25)
InChIKeyAHWAWOLPOTVFKJ-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075967
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide (CID 18108709) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide?
The InChIKey is AHWAWOLPOTVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-28-20-12-10-19(11-13-20)24-29(26,27)21-9-5-8-18(16-21)22(25)23-15-14-17-6-3-2-4-7-17/h2-13,16,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18108709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).