N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C13H13NO2S2 — CID 91817323

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)c2cccs2)s1
InChIInChI=1S/C13H13NO2S2/c1-9(15)11-5-4-10(18-11)6-7-14-13(16)12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyMMIXWKXIRBUTCL-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide

N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91817323) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID91817323
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)c2cccs2)s1
InChIInChI=1S/C13H13NO2S2/c1-9(15)11-5-4-10(18-11)6-7-14-13(16)12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyMMIXWKXIRBUTCL-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 60610459
methyl 4-[2-(5-acetylthiophen-2-yl)ethylcarbamoyl]benzoate
CID 91817348
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46646082
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 91817346
N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
CID 91817317
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 91817323) is N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(CCNC(=O)c2cccs2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is MMIXWKXIRBUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c1-9(15)11-5-4-10(18-11)6-7-14-13(16)12-3-2-8-17-12/h2-5,8H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91817323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).