2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide

C13H21N3O3S — CID 119279112

IUPAC2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-2-6-12(14)13(17)15-9-10-16-20(18,19)11-7-4-3-5-8-11/h3-5,7-8,12,16H,2,6,9-10,14H2,1H3,(H,15,17)
InChIKeyGOSXIDLDMYXSQN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.21
Rot. Bonds8

About 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide

2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide (PubChem CID 119279112) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
PubChem CID119279112
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-2-6-12(14)13(17)15-9-10-16-20(18,19)11-7-4-3-5-8-11/h3-5,7-8,12,16H,2,6,9-10,14H2,1H3,(H,15,17)
InChIKeyGOSXIDLDMYXSQN-UHFFFAOYSA-N
XLogP0.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
CID 119704272
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
CID 119329237
2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
CID 71078685
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[(1R)-1-phenylbutyl]urea
CID 51936408
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide (CID 119279112) is 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide is CCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide?
The InChIKey is GOSXIDLDMYXSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-6-12(14)13(17)15-9-10-16-20(18,19)11-7-4-3-5-8-11/h3-5,7-8,12,16H,2,6,9-10,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide?
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide is sourced from PubChem (CID 119279112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).