3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide

C14H12N2O2S2 — CID 2766965

IUPAC3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2SCC#N)cc1
InChIInChI=1S/C14H12N2O2S2/c1-18-11-4-2-10(3-5-11)16-14(17)13-12(6-8-20-13)19-9-7-15/h2-6,8H,9H2,1H3,(H,16,17)
InChIKeyDGXNPEWTHYPMMI-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.62
Rot. Bonds5

About 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide

3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 2766965) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID2766965
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2SCC#N)cc1
InChIInChI=1S/C14H12N2O2S2/c1-18-11-4-2-10(3-5-11)16-14(17)13-12(6-8-20-13)19-9-7-15/h2-6,8H,9H2,1H3,(H,16,17)
InChIKeyDGXNPEWTHYPMMI-UHFFFAOYSA-N
XLogP3.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
3-amino-4-(isopropylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2815287
Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
CID 3659340
4-[(4-Methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486042
4-[(4-Ethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486051
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide (CID 2766965) is 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2SCC#N)cc1.
What is the InChIKey of 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is DGXNPEWTHYPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-18-11-4-2-10(3-5-11)16-14(17)13-12(6-8-20-13)19-9-7-15/h2-6,8H,9H2,1H3,(H,16,17).
What are the key properties of 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethylsulfanyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2766965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).