N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide

C19H16ClNOS — CID 18267936

IUPACN-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNOS/c1-13(14-7-9-16(20)10-8-14)21-19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyZBTYHWNKVZULPE-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.56
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide

N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide (PubChem CID 18267936) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
PubChem CID18267936
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNOS/c1-13(14-7-9-16(20)10-8-14)21-19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChIKeyZBTYHWNKVZULPE-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 47013045
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159027

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide (CID 18267936) is N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide is CC(NC(=O)c1sccc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is ZBTYHWNKVZULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-13(14-7-9-16(20)10-8-14)21-19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 18267936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).