N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

C18H16N4O3S — CID 53335911

IUPACN-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-25-13-4-2-12(3-5-13)10-21-18(24)16-14(6-9-26-16)22-17(23)15-11-19-7-8-20-15/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyVGXPJUSSVWLNTH-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.73
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335911) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335911
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H16N4O3S/c1-25-13-4-2-12(3-5-13)10-21-18(24)16-14(6-9-26-16)22-17(23)15-11-19-7-8-20-15/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyVGXPJUSSVWLNTH-UHFFFAOYSA-N
XLogP2.73
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335924
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335951
N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335960
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53335911) is N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2sccc2NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is VGXPJUSSVWLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-25-13-4-2-12(3-5-13)10-21-18(24)16-14(6-9-26-16)22-17(23)15-11-19-7-8-20-15/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).