2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide

C13H20N2OS — CID 115747545

IUPAC2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
SMILESCCSCCC(C)NC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2OS/c1-3-17-9-8-10(2)15-13(16)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyPREACJWBQPIJPF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide

2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide (PubChem CID 115747545) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
PubChem CID115747545
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
SMILESCCSCCC(C)NC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2OS/c1-3-17-9-8-10(2)15-13(16)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyPREACJWBQPIJPF-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide 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

3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
2-amino-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide;sulfane
CID 158216878
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 115665154
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide (CID 115747545) is 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide is CCSCCC(C)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The InChIKey is PREACJWBQPIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-17-9-8-10(2)15-13(16)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide?
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 115747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).