2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide

C14H23N3O3S — CID 119704272

IUPAC2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-3-11(2)13(15)14(18)16-9-10-17-21(19,20)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3,(H,16,18)
InChIKeyHZQIEHXKNCATCM-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.45
Rot. Bonds8

About 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide

2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide (PubChem CID 119704272) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
PubChem CID119704272
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-3-11(2)13(15)14(18)16-9-10-17-21(19,20)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3,(H,16,18)
InChIKeyHZQIEHXKNCATCM-UHFFFAOYSA-N
XLogP0.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022
(2S)-2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 61172487
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide (CID 119704272) is 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide?
The InChIKey is HZQIEHXKNCATCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-11(2)13(15)14(18)16-9-10-17-21(19,20)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide?
2-amino-N-[2-(benzenesulfonamido)ethyl]-3-methylpentanamide has a molecular weight of 313.42 g/mol, XLogP of 0.45, 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]-3-methylpentanamide is sourced from PubChem (CID 119704272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).