N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide

C14H12N2O2S — CID 79464717

IUPACN-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C#N)c2ccccc2)c1
InChIInChI=1S/C14H12N2O2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,1H3,(H,16,17)
InChIKeyXDSNNZQISIDKTJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.75
Rot. Bonds4

About N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide

N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 79464717) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide
PubChem CID79464717
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C#N)c2ccccc2)c1
InChIInChI=1S/C14H12N2O2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,1H3,(H,16,17)
InChIKeyXDSNNZQISIDKTJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725
2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile
CID 81122331
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
3-(4-methoxythiophen-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 79478763
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide (CID 79464717) is N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(C#N)c2ccccc2)c1.
What is the InChIKey of N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is XDSNNZQISIDKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,1H3,(H,16,17).
What are the key properties of N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide?
N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 79464717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).