(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone

C14H14ClNOS — CID 102371413

IUPAC(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
SMILESCCCc1cc(C(=O)c2cccc(Cl)c2)c(N)s1
InChIInChI=1S/C14H14ClNOS/c1-2-4-11-8-12(14(16)18-11)13(17)9-5-3-6-10(15)7-9/h3,5-8H,2,4,16H2,1H3
InChIKeyVQPUOLYINYFHIC-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.17
Rot. Bonds4

About (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone

(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone (PubChem CID 102371413) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
PubChem CID102371413
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
SMILESCCCc1cc(C(=O)c2cccc(Cl)c2)c(N)s1
InChIInChI=1S/C14H14ClNOS/c1-2-4-11-8-12(14(16)18-11)13(17)9-5-3-6-10(15)7-9/h3,5-8H,2,4,16H2,1H3
InChIKeyVQPUOLYINYFHIC-UHFFFAOYSA-N
XLogP4.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone 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

(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
CID 18974891
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
CID 1134164
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
CID 21037074
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
CID 53414372

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone (CID 102371413) is (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone is CCCc1cc(C(=O)c2cccc(Cl)c2)c(N)s1.
What is the InChIKey of (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone?
The InChIKey is VQPUOLYINYFHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-4-11-8-12(14(16)18-11)13(17)9-5-3-6-10(15)7-9/h3,5-8H,2,4,16H2,1H3.
What are the key properties of (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone?
(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone has a molecular weight of 279.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 102371413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).