(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone

C14H15NOS2 — CID 82073382

IUPAC(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone
SMILESCCCSc1ccc(C(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C14H15NOS2/c1-2-9-17-13-8-7-12(18-13)14(16)10-3-5-11(15)6-4-10/h3-8H,2,9,15H2,1H3
InChIKeyZFQQASFRHKLBGW-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.06
Rot. Bonds5

About (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone

(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone (PubChem CID 82073382) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone
PubChem CID82073382
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone
SMILESCCCSc1ccc(C(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C14H15NOS2/c1-2-9-17-13-8-7-12(18-13)14(16)10-3-5-11(15)6-4-10/h3-8H,2,9,15H2,1H3
InChIKeyZFQQASFRHKLBGW-UHFFFAOYSA-N
XLogP4.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone (CID 82073382) is (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone is CCCSc1ccc(C(=O)c2ccc(N)cc2)s1.
What is the InChIKey of (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone?
The InChIKey is ZFQQASFRHKLBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-2-9-17-13-8-7-12(18-13)14(16)10-3-5-11(15)6-4-10/h3-8H,2,9,15H2,1H3.
What are the key properties of (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone?
(4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(5-propylsulfanylthiophen-2-yl)methanone is sourced from PubChem (CID 82073382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).