N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide

C19H16ClNOS — CID 18227178

IUPACN-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16ClNOS/c20-16-8-4-5-14(13-16)9-11-21-19(22)18-17(10-12-23-18)15-6-2-1-3-7-15/h1-8,10,12-13H,9,11H2,(H,21,22)
InChIKeyWDIYMZQOCDGBCX-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.04
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide (PubChem CID 18227178) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
PubChem CID18227178
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16ClNOS/c20-16-8-4-5-14(13-16)9-11-21-19(22)18-17(10-12-23-18)15-6-2-1-3-7-15/h1-8,10,12-13H,9,11H2,(H,21,22)
InChIKeyWDIYMZQOCDGBCX-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 154832803
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N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
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N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
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N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide (CID 18227178) is N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide is O=C(NCCc1cccc(Cl)c1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is WDIYMZQOCDGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c20-16-8-4-5-14(13-16)9-11-21-19(22)18-17(10-12-23-18)15-6-2-1-3-7-15/h1-8,10,12-13H,9,11H2,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 18227178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).