2-(2-aminophenyl)-N-(thian-4-yl)acetamide

C13H18N2OS — CID 115753416

IUPAC2-(2-aminophenyl)-N-(thian-4-yl)acetamide
SMILESNc1ccccc1CC(=O)NC1CCSCC1
InChIInChI=1S/C13H18N2OS/c14-12-4-2-1-3-10(12)9-13(16)15-11-5-7-17-8-6-11/h1-4,11H,5-9,14H2,(H,15,16)
InChIKeyIECCASFYDYLOJH-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-aminophenyl)-N-(thian-4-yl)acetamide

2-(2-aminophenyl)-N-(thian-4-yl)acetamide (PubChem CID 115753416) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(thian-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(thian-4-yl)acetamide
PubChem CID115753416
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(2-aminophenyl)-N-(thian-4-yl)acetamide
SMILESNc1ccccc1CC(=O)NC1CCSCC1
InChIInChI=1S/C13H18N2OS/c14-12-4-2-1-3-10(12)9-13(16)15-11-5-7-17-8-6-11/h1-4,11H,5-9,14H2,(H,15,16)
InChIKeyIECCASFYDYLOJH-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(thian-4-yl)acetamide 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-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-anilino-N-(thian-4-yl)acetamide;hydrochloride
CID 119765688
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
1-[(2-aminophenyl)methylsulfonyl]-3-cyclopropylurea
CID 116646414
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
CID 102902341
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(thian-4-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(thian-4-yl)acetamide (CID 115753416) is 2-(2-aminophenyl)-N-(thian-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(thian-4-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(thian-4-yl)acetamide is Nc1ccccc1CC(=O)NC1CCSCC1.
What is the InChIKey of 2-(2-aminophenyl)-N-(thian-4-yl)acetamide?
The InChIKey is IECCASFYDYLOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12-4-2-1-3-10(12)9-13(16)15-11-5-7-17-8-6-11/h1-4,11H,5-9,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)-N-(thian-4-yl)acetamide?
2-(2-aminophenyl)-N-(thian-4-yl)acetamide has a molecular weight of 250.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(thian-4-yl)acetamide is sourced from PubChem (CID 115753416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).