N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide

C15H14N2O2S — CID 96549404

IUPACN-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](C#N)c1ccccc1C
InChIInChI=1S/C15H14N2O2S/c1-10-5-3-4-6-11(10)12(9-16)17-15(18)14-13(19-2)7-8-20-14/h3-8,12H,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyGPDFFBJADCIPEE-LBPRGKRZSA-N
MW286.36 g/mol
LogP3.06
Rot. Bonds4

About N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide

N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 96549404) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
PubChem CID96549404
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](C#N)c1ccccc1C
InChIInChI=1S/C15H14N2O2S/c1-10-5-3-4-6-11(10)12(9-16)17-15(18)14-13(19-2)7-8-20-14/h3-8,12H,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyGPDFFBJADCIPEE-LBPRGKRZSA-N
XLogP3.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
CID 96549835
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide (CID 96549404) is N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N[C@@H](C#N)c1ccccc1C.
What is the InChIKey of N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is GPDFFBJADCIPEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-5-3-4-6-11(10)12(9-16)17-15(18)14-13(19-2)7-8-20-14/h3-8,12H,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide?
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 96549404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).