N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide

C15H14N2O2S — CID 78964493

IUPACN-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-19-13-8-11-20-14(13)15(18)17(10-5-9-16)12-6-3-2-4-7-12/h2-4,6-8,11H,5,10H2,1H3
InChIKeyZSMAPHSKORDXTA-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.32
Rot. Bonds5

About N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide

N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide (PubChem CID 78964493) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide
PubChem CID78964493
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-19-13-8-11-20-14(13)15(18)17(10-5-9-16)12-6-3-2-4-7-12/h2-4,6-8,11H,5,10H2,1H3
InChIKeyZSMAPHSKORDXTA-UHFFFAOYSA-N
XLogP3.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
CID 61093926
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N'-(2-cyanoethyl)-N'-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
CID 56577763
N'-(2-cyanoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-N'-phenylbutanediamide
CID 56540043
3-[[2-cyanoethyl(phenyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109533
N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 16536799
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-N-phenylacetamide
CID 24565615
N'-(2-cyanoethyl)-N'-phenyl-N-(3,4,5-trimethoxyphenyl)butanediamide
CID 56516214

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide (CID 78964493) is N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide is COc1ccsc1C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide?
The InChIKey is ZSMAPHSKORDXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-13-8-11-20-14(13)15(18)17(10-5-9-16)12-6-3-2-4-7-12/h2-4,6-8,11H,5,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide?
N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-methoxy-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 78964493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).