N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

C17H12F2N4O2S — CID 53335924

IUPACN-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1cc(F)cc(F)c1)c1cnccn1
InChIInChI=1S/C17H12F2N4O2S/c18-11-5-10(6-12(19)7-11)8-22-17(25)15-13(1-4-26-15)23-16(24)14-9-20-2-3-21-14/h1-7,9H,8H2,(H,22,25)(H,23,24)
InChIKeyLVRPICLENRRPMJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.00
Rot. Bonds5

About N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335924) has the molecular formula C17H12F2N4O2S and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335924
Molecular FormulaC17H12F2N4O2S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC NameN-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1cc(F)cc(F)c1)c1cnccn1
InChIInChI=1S/C17H12F2N4O2S/c18-11-5-10(6-12(19)7-11)8-22-17(25)15-13(1-4-26-15)23-16(24)14-9-20-2-3-21-14/h1-7,9H,8H2,(H,22,25)(H,23,24)
InChIKeyLVRPICLENRRPMJ-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335911
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-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53335924) is N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is O=C(Nc1ccsc1C(=O)NCc1cc(F)cc(F)c1)c1cnccn1.
What is the InChIKey of N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is LVRPICLENRRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2S/c18-11-5-10(6-12(19)7-11)8-22-17(25)15-13(1-4-26-15)23-16(24)14-9-20-2-3-21-14/h1-7,9H,8H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).