N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide

C22H22N2O3S — CID 55706016

IUPACN-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c25-22(16-7-11-18-9-3-1-4-10-18)23-19-12-8-13-20(17-19)24-28(26,27)21-14-5-2-6-15-21/h1-6,8-10,12-15,17,24H,7,11,16H2,(H,23,25)
InChIKeyNVKLWIFIMLVDDJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.45
Rot. Bonds8

About N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide

N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide (PubChem CID 55706016) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
PubChem CID55706016
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c25-22(16-7-11-18-9-3-1-4-10-18)23-19-12-8-13-20(17-19)24-28(26,27)21-14-5-2-6-15-21/h1-6,8-10,12-15,17,24H,7,11,16H2,(H,23,25)
InChIKeyNVKLWIFIMLVDDJ-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
CID 55721517
N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
CID 55840132
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
CID 23206275
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide (CID 55706016) is N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide?
The InChIKey is NVKLWIFIMLVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(16-7-11-18-9-3-1-4-10-18)23-19-12-8-13-20(17-19)24-28(26,27)21-14-5-2-6-15-21/h1-6,8-10,12-15,17,24H,7,11,16H2,(H,23,25).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide?
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide has a molecular weight of 394.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 55706016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).