(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone

C14H14ClNOS — CID 10779081

IUPAC(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone
SMILESCCc1c(C)sc(N)c1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-3-11-8(2)18-14(16)12(11)13(17)9-5-4-6-10(15)7-9/h4-7H,3,16H2,1-2H3
InChIKeyJPLDRKCIHNLFNR-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.09
Rot. Bonds3

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

(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone (PubChem CID 10779081) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone
PubChem CID10779081
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone
SMILESCCc1c(C)sc(N)c1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-3-11-8(2)18-14(16)12(11)13(17)9-5-4-6-10(15)7-9/h4-7H,3,16H2,1-2H3
InChIKeyJPLDRKCIHNLFNR-UHFFFAOYSA-N
XLogP4.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone (CID 10779081) is (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone is CCc1c(C)sc(N)c1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone?
The InChIKey is JPLDRKCIHNLFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-3-11-8(2)18-14(16)12(11)13(17)9-5-4-6-10(15)7-9/h4-7H,3,16H2,1-2H3.
What are the key properties of (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone?
(2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone has a molecular weight of 279.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-5-methylthiophen-3-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 10779081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).