2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide

C18H22N2O3S — CID 145138135

IUPAC2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
SMILESCC(C)CC(N)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-17(19)18(21)20-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeySQIQXPQEBRIPKH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide

2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide (PubChem CID 145138135) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
PubChem CID145138135
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
SMILESCC(C)CC(N)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-17(19)18(21)20-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeySQIQXPQEBRIPKH-UHFFFAOYSA-N
XLogP2.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 ≤ 104

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
CID 164614393
2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 11418272
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
CID 122490832
N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
CID 164610308
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
CID 164610189
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
CID 119745106
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 164625109

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The IUPAC name of 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide (CID 145138135) is 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide is CC(C)CC(N)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The InChIKey is SQIQXPQEBRIPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(2)12-17(19)18(21)20-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide has a molecular weight of 346.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide is sourced from PubChem (CID 145138135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).