3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide

C17H15NOS2 — CID 18110932

IUPAC3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C17H15NOS2/c1-12(15-8-5-10-20-15)18-17(19)16-14(9-11-21-16)13-6-3-2-4-7-13/h2-12H,1H3,(H,18,19)
InChIKeyZPQYRUGDXSNXSC-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.97
Rot. Bonds4

About 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide

3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 18110932) has the molecular formula C17H15NOS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID18110932
Molecular FormulaC17H15NOS2
Molecular Weight313.45 g/mol
Exact Mass313.06
IUPAC Name3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C17H15NOS2/c1-12(15-8-5-10-20-15)18-17(19)16-14(9-11-21-16)13-6-3-2-4-7-13/h2-12H,1H3,(H,18,19)
InChIKeyZPQYRUGDXSNXSC-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 47013045
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
3-[2-(1-thiophen-2-ylethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77006999
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57052620
3-(4-hydroxybut-1-ynyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63796920
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 51127282
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 18110932) is 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide is CC(NC(=O)c1sccc1-c1ccccc1)c1cccs1.
What is the InChIKey of 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is ZPQYRUGDXSNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS2/c1-12(15-8-5-10-20-15)18-17(19)16-14(9-11-21-16)13-6-3-2-4-7-13/h2-12H,1H3,(H,18,19).
What are the key properties of 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18110932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).