N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C13H10ClN3OS — CID 113228991

IUPACN-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C13H10ClN3OS/c14-11-12(16-6-5-15-11)17-13(18)10-7-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,16,17,18)
InChIKeyVPTHYKLCURXWNJ-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.79
Rot. Bonds2

About N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 113228991) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID113228991
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC NameN-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C13H10ClN3OS/c14-11-12(16-6-5-15-11)17-13(18)10-7-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,16,17,18)
InChIKeyVPTHYKLCURXWNJ-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17545071
(E)-2-phenyl-N-(pyrazin-2-yl)-3-(thiophen-2-yl)acrylamide
CID 44568124
N-(6-chloropyrazin-2-yl)-2-phenylacetamide
CID 90428639
2-phenyl-2-(phenylsulfanyl)-N-(pyrazin-2-yl)acetamide
CID 2970654
3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide
CID 23394568
3-cyclopentyl-2(R)-(4-methylsulfanyl-phenyl)-N-pyrazin-2-yl-propionamide
CID 59086448
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 71046359
(2R)-N-(5-chloropyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834579
(2S)-2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide
CID 1245559
(2R)-2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide
CID 1245561
(2S)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25337640
(2R)-N-pyridin-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25337641

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 113228991) is N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1nccnc1Cl)C1Cc2ccccc2S1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is VPTHYKLCURXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-11-12(16-6-5-15-11)17-13(18)10-7-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,16,17,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113228991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).