N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide

C16H15N3O2S2 — CID 653449

IUPACN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide
SMILESCc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C16H15N3O2S2/c1-10-11(9-17)15(18-14(20)12-5-4-8-22-12)23-13(10)16(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyDZDPQHJIWDVCEG-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.48
Rot. Bonds3

About N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide

N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 653449) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide
PubChem CID653449
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide
SMILESCc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C16H15N3O2S2/c1-10-11(9-17)15(18-14(20)12-5-4-8-22-12)23-13(10)16(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyDZDPQHJIWDVCEG-UHFFFAOYSA-N
XLogP3.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide (CID 653449) is N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide is Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide?
The InChIKey is DZDPQHJIWDVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-11(9-17)15(18-14(20)12-5-4-8-22-12)23-13(10)16(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide?
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 653449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).