N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide

C16H16N2O3S — CID 97223164

IUPACN-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c1-20-14-4-3-5-15(21-2)12(14)8-16(19)18-13(9-17)11-6-7-22-10-11/h3-7,10,13H,8H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHKSBQNIFTLELRC-ZDUSSCGKSA-N
MW316.38 g/mol
LogP2.69
Rot. Bonds6

About N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide

N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide (PubChem CID 97223164) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
PubChem CID97223164
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c1-20-14-4-3-5-15(21-2)12(14)8-16(19)18-13(9-17)11-6-7-22-10-11/h3-7,10,13H,8H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHKSBQNIFTLELRC-ZDUSSCGKSA-N
XLogP2.69
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 75371252
(3S)-N-[(R)-cyano(thiophen-3-yl)methyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95594154
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
CID 84816863
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
CID 119502745
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide (CID 97223164) is N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide is COc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1ccsc1.
What is the InChIKey of N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide?
The InChIKey is HKSBQNIFTLELRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-14-4-3-5-15(21-2)12(14)8-16(19)18-13(9-17)11-6-7-22-10-11/h3-7,10,13H,8H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide?
N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide is sourced from PubChem (CID 97223164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).