2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide

C13H21N3O4S — CID 81086132

IUPAC2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-20-9-5-6-10(14)13(17)15-11-7-3-4-8-12(11)16-21(2,18)19/h3-4,7-8,10,16H,5-6,9,14H2,1-2H3,(H,15,17)
InChIKeyQLLKFMPJYZEILY-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.75
Rot. Bonds8

About 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide

2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide (PubChem CID 81086132) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
PubChem CID81086132
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-20-9-5-6-10(14)13(17)15-11-7-3-4-8-12(11)16-21(2,18)19/h3-4,7-8,10,16H,5-6,9,14H2,1-2H3,(H,15,17)
InChIKeyQLLKFMPJYZEILY-UHFFFAOYSA-N
XLogP0.75
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
CID 81422440
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide (CID 81086132) is 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide?
The InChIKey is QLLKFMPJYZEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-20-9-5-6-10(14)13(17)15-11-7-3-4-8-12(11)16-21(2,18)19/h3-4,7-8,10,16H,5-6,9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide?
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide has a molecular weight of 315.40 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide is sourced from PubChem (CID 81086132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).