4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide

C15H14N2OS3 — CID 2819421

IUPAC4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)NCC2CC2)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N2OS3/c1-19-15-10(7-16)12(11-3-2-6-20-11)13(21-15)14(18)17-8-9-4-5-9/h2-3,6,9H,4-5,8H2,1H3,(H,17,18)
InChIKeyBLFNODLMLUGQPE-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.21
Rot. Bonds5

About 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide

4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 2819421) has the molecular formula C15H14N2OS3 and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide
PubChem CID2819421
Molecular FormulaC15H14N2OS3
Molecular Weight334.49 g/mol
Exact Mass334.03
IUPAC Name4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)NCC2CC2)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N2OS3/c1-19-15-10(7-16)12(11-3-2-6-20-11)13(21-15)14(18)17-8-9-4-5-9/h2-3,6,9H,4-5,8H2,1H3,(H,17,18)
InChIKeyBLFNODLMLUGQPE-UHFFFAOYSA-N
XLogP4.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-3-carbonitrile, 2-methylthio-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-
CID 617079
N-(thien-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3243142
2-(Methylthio)-5-(morpholinocarbonyl)-4-(2-thienyl)thiophene-3-carbonitrile
CID 2819422
N-(2-phenylpropyl)thiophene-2-carboxamide
CID 2881938
2-(5-acetyl-3-thienyl)-N-(3-thienylmethyl)acetamide
CID 28139556
N-(1-cyano-3-methylbutyl)-3-ethylthiophene-2-carboxamide
CID 53576393
2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 2949933
N-(2-phenylcyclopropyl)-2-thienylcarboxamide
CID 3254428
3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2621622
3-(4-chlorophenyl)-4-cyano-5-methylsulfanyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 2819273
4-cyano-5-methylsulfanyl-N-propan-2-yl-3-thiophen-2-ylthiophene-2-carboxamide
CID 2819420
4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 4609914

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide (CID 2819421) is 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide is CSc1sc(C(=O)NCC2CC2)c(-c2cccs2)c1C#N.
What is the InChIKey of 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is BLFNODLMLUGQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS3/c1-19-15-10(7-16)12(11-3-2-6-20-11)13(21-15)14(18)17-8-9-4-5-9/h2-3,6,9H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide?
4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclopropylmethyl)-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 2819421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).