(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone

C13H12ClNOS — CID 18974891

IUPAC(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(Cl)cc2)c(N)s1
InChIInChI=1S/C13H12ClNOS/c1-2-10-7-11(13(15)17-10)12(16)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKeyJKSMVZQCJMACLX-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.78
Rot. Bonds3

About (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone

(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone (PubChem CID 18974891) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
PubChem CID18974891
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(Cl)cc2)c(N)s1
InChIInChI=1S/C13H12ClNOS/c1-2-10-7-11(13(15)17-10)12(16)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKeyJKSMVZQCJMACLX-UHFFFAOYSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone (CID 18974891) is (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone is CCc1cc(C(=O)c2ccc(Cl)cc2)c(N)s1.
What is the InChIKey of (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is JKSMVZQCJMACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-2-10-7-11(13(15)17-10)12(16)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3.
What are the key properties of (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone?
(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 265.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 18974891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).