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

C16H12N4O2S — CID 118729470

IUPACN-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cnccn1
InChIInChI=1S/C16H12N4O2S/c17-14(21)11-8-13(10-4-2-1-3-5-10)23-16(11)20-15(22)12-9-18-6-7-19-12/h1-9H,(H2,17,21)(H,20,22)
InChIKeyJAULUWGCOXRFSZ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.56
Rot. Bonds4

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

N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide (PubChem CID 118729470) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide
PubChem CID118729470
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cnccn1
InChIInChI=1S/C16H12N4O2S/c17-14(21)11-8-13(10-4-2-1-3-5-10)23-16(11)20-15(22)12-9-18-6-7-19-12/h1-9H,(H2,17,21)(H,20,22)
InChIKeyJAULUWGCOXRFSZ-UHFFFAOYSA-N
XLogP2.56
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.56
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-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide (CID 118729470) is N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cnccn1.
What is the InChIKey of N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide?
The InChIKey is JAULUWGCOXRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c17-14(21)11-8-13(10-4-2-1-3-5-10)23-16(11)20-15(22)12-9-18-6-7-19-12/h1-9H,(H2,17,21)(H,20,22).
What are the key properties of N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide?
N-(3-carbamoyl-5-phenylthiophen-2-yl)pyrazine-2-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.56, 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-phenylthiophen-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118729470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).