N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide

C20H22N4O2S — CID 42958667

IUPACN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CCCc2cccs2)c1)n1cccn1
InChIInChI=1S/C20H22N4O2S/c1-15(24-12-5-11-21-24)20(26)23-17-7-2-6-16(14-17)22-19(25)10-3-8-18-9-4-13-27-18/h2,4-7,9,11-15H,3,8,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyNRIXOPGHCRMRBU-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.11
Rot. Bonds8

About N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide

N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 42958667) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID42958667
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CCCc2cccs2)c1)n1cccn1
InChIInChI=1S/C20H22N4O2S/c1-15(24-12-5-11-21-24)20(26)23-17-7-2-6-16(14-17)22-19(25)10-3-8-18-9-4-13-27-18/h2,4-7,9,11-15H,3,8,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyNRIXOPGHCRMRBU-UHFFFAOYSA-N
XLogP4.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide
CID 167868090
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide (CID 42958667) is N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide is CC(C(=O)Nc1cccc(NC(=O)CCCc2cccs2)c1)n1cccn1.
What is the InChIKey of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is NRIXOPGHCRMRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15(24-12-5-11-21-24)20(26)23-17-7-2-6-16(14-17)22-19(25)10-3-8-18-9-4-13-27-18/h2,4-7,9,11-15H,3,8,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 382.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 42958667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).