N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide

C17H14N4O2S — CID 1247378

IUPACN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H14N4O2S/c1-10-13(11-5-3-2-4-6-11)14(15(18)22)17(24-10)21-16(23)12-9-19-7-8-20-12/h2-9H,1H3,(H2,18,22)(H,21,23)
InChIKeyLEOBIROOQNNIJX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.86
Rot. Bonds4

About N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide

N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide (PubChem CID 1247378) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide
PubChem CID1247378
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H14N4O2S/c1-10-13(11-5-3-2-4-6-11)14(15(18)22)17(24-10)21-16(23)12-9-19-7-8-20-12/h2-9H,1H3,(H2,18,22)(H,21,23)
InChIKeyLEOBIROOQNNIJX-UHFFFAOYSA-N
XLogP2.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide (CID 1247378) is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide is Cc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The InChIKey is LEOBIROOQNNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-13(11-5-3-2-4-6-11)14(15(18)22)17(24-10)21-16(23)12-9-19-7-8-20-12/h2-9H,1H3,(H2,18,22)(H,21,23).
What are the key properties of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide?
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 1247378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).