(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide

C13H21N3O3S — CID 107568567

IUPAC(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H21N3O3S/c1-3-7-10(14)13(17)16-11-8-5-6-9-12(11)20(18,19)15-4-2/h5-6,8-10,15H,3-4,7,14H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyGZMJXBKYIGPYAN-JTQLQIEISA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds7

About (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide

(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide (PubChem CID 107568567) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
PubChem CID107568567
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H21N3O3S/c1-3-7-10(14)13(17)16-11-8-5-6-9-12(11)20(18,19)15-4-2/h5-6,8-10,15H,3-4,7,14H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyGZMJXBKYIGPYAN-JTQLQIEISA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 64896402
2-hydroxyethyl N-[2-(ethylsulfamoyl)phenyl]carbamate
CID 79345271
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
CID 43699275
1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide (CID 107568567) is (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccccc1S(=O)(=O)NCC.
What is the InChIKey of (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide?
The InChIKey is GZMJXBKYIGPYAN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-7-10(14)13(17)16-11-8-5-6-9-12(11)20(18,19)15-4-2/h5-6,8-10,15H,3-4,7,14H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide?
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 107568567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).