2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

C18H22N2O3S — CID 4878395

IUPAC2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-6-17(15-7-4-3-5-8-15)18(21)20-13-14-9-11-16(12-10-14)24(19,22)23/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyKKKQFKIRLHNZHD-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.53
Rot. Bonds7

About 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (PubChem CID 4878395) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
PubChem CID4878395
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESCCCC(C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-6-17(15-7-4-3-5-8-15)18(21)20-13-14-9-11-16(12-10-14)24(19,22)23/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyKKKQFKIRLHNZHD-UHFFFAOYSA-N
XLogP2.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
4-amino-5-oxo-5-[(4-sulfamoylphenyl)methylamino]pentanoic acid
CID 64895393
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
1-(1-phenylethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 19649491
1-(3,3-diphenylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111233611
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (CID 4878395) is 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is CCCC(C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is KKKQFKIRLHNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-6-17(15-7-4-3-5-8-15)18(21)20-13-14-9-11-16(12-10-14)24(19,22)23/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 346.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 4878395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).