N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide

C24H22N4O2S — CID 55970055

IUPACN-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1)c1cccs1
InChIInChI=1S/C24H22N4O2S/c29-23(26-20-11-9-19(10-12-20)17-28-14-5-13-25-28)21(16-18-6-2-1-3-7-18)27-24(30)22-8-4-15-31-22/h1-15,21H,16-17H2,(H,26,29)(H,27,30)
InChIKeyWENPZGSNUHOCTP-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.97
Rot. Bonds8

About N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55970055) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID55970055
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1)c1cccs1
InChIInChI=1S/C24H22N4O2S/c29-23(26-20-11-9-19(10-12-20)17-28-14-5-13-25-28)21(16-18-6-2-1-3-7-18)27-24(30)22-8-4-15-31-22/h1-15,21H,16-17H2,(H,26,29)(H,27,30)
InChIKeyWENPZGSNUHOCTP-UHFFFAOYSA-N
XLogP3.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86963245
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55847538
N-[1-oxo-1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]anilino]-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55837855
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide (CID 55970055) is N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1)c1cccs1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is WENPZGSNUHOCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-23(26-20-11-9-19(10-12-20)17-28-14-5-13-25-28)21(16-18-6-2-1-3-7-18)27-24(30)22-8-4-15-31-22/h1-15,21H,16-17H2,(H,26,29)(H,27,30).
What are the key properties of N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55970055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).