N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide

C24H29N5O3S — CID 167868090

IUPACN'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide
SMILESCCC(CC)C(NC(=O)C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1)c1cccs1
InChIInChI=1S/C24H29N5O3S/c1-4-17(5-2)21(20-11-7-14-33-20)28-24(32)23(31)27-19-10-6-9-18(15-19)26-22(30)16(3)29-13-8-12-25-29/h6-17,21H,4-5H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyWCWAMJDFWJKNCD-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.38
Rot. Bonds9

About N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide

N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide (PubChem CID 167868090) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide
PubChem CID167868090
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide
SMILESCCC(CC)C(NC(=O)C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1)c1cccs1
InChIInChI=1S/C24H29N5O3S/c1-4-17(5-2)21(20-11-7-14-33-20)28-24(32)23(31)27-19-10-6-9-18(15-19)26-22(30)16(3)29-13-8-12-25-29/h6-17,21H,4-5H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyWCWAMJDFWJKNCD-UHFFFAOYSA-N
XLogP4.38
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
(2R)-2-pyrazol-1-yl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 35699099
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide?
The IUPAC name of N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide (CID 167868090) is N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide.
What is the SMILES notation for N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide?
The canonical SMILES for N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide is CCC(CC)C(NC(=O)C(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1)c1cccs1.
What is the InChIKey of N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide?
The InChIKey is WCWAMJDFWJKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-4-17(5-2)21(20-11-7-14-33-20)28-24(32)23(31)27-19-10-6-9-18(15-19)26-22(30)16(3)29-13-8-12-25-29/h6-17,21H,4-5H2,1-3H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide?
N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide has a molecular weight of 467.60 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxamide is sourced from PubChem (CID 167868090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).