N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide

C18H16N4O3S — CID 46468453

IUPACN-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C18H16N4O3S/c1-12(21-18(24)15-6-3-9-26-15)17(23)22-13-4-2-5-14(10-13)25-16-11-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23)
InChIKeyGLHQNDIKWUHDTI-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.09
Rot. Bonds6

About N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 46468453) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
PubChem CID46468453
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C18H16N4O3S/c1-12(21-18(24)15-6-3-9-26-15)17(23)22-13-4-2-5-14(10-13)25-16-11-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23)
InChIKeyGLHQNDIKWUHDTI-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[1-oxo-1-(4-pyrazin-2-yloxyanilino)propan-2-yl]furan-3-carboxamide
CID 47057374
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide (CID 46468453) is N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1cccc(Oc2cnccn2)c1.
What is the InChIKey of N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is GLHQNDIKWUHDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12(21-18(24)15-6-3-9-26-15)17(23)22-13-4-2-5-14(10-13)25-16-11-19-7-8-20-16/h2-12H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46468453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).