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

C15H14N2O3S — CID 96549376

IUPACN-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1sccc1OC
InChIInChI=1S/C15H14N2O3S/c1-19-12-6-4-3-5-10(12)11(9-16)17-15(18)14-13(20-2)7-8-21-14/h3-8,11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyPRDONVBJBKOEBG-NSHDSACASA-N
MW302.36 g/mol
LogP2.76
Rot. Bonds5

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

N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 96549376) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
PubChem CID96549376
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1sccc1OC
InChIInChI=1S/C15H14N2O3S/c1-19-12-6-4-3-5-10(12)11(9-16)17-15(18)14-13(20-2)7-8-21-14/h3-8,11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyPRDONVBJBKOEBG-NSHDSACASA-N
XLogP2.76
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
CID 96549835
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide (CID 96549376) is N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide is COc1ccccc1[C@H](C#N)NC(=O)c1sccc1OC.
What is the InChIKey of N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is PRDONVBJBKOEBG-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-12-6-4-3-5-10(12)11(9-16)17-15(18)14-13(20-2)7-8-21-14/h3-8,11H,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide?
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 96549376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).