N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C23H28N4O2S — CID 55555083

IUPACN-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccsc2)n(Cc2ccccc2)n1
InChIInChI=1S/C23H28N4O2S/c1-23(2,3)19-14-20(27(26-19)15-17-8-5-4-6-9-17)25-21(28)10-7-12-24-22(29)18-11-13-30-16-18/h4-6,8-9,11,13-14,16H,7,10,12,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyAPYQWOCPEYXGMO-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.44
Rot. Bonds8

About N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 55555083) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID55555083
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccsc2)n(Cc2ccccc2)n1
InChIInChI=1S/C23H28N4O2S/c1-23(2,3)19-14-20(27(26-19)15-17-8-5-4-6-9-17)25-21(28)10-7-12-24-22(29)18-11-13-30-16-18/h4-6,8-9,11,13-14,16H,7,10,12,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyAPYQWOCPEYXGMO-UHFFFAOYSA-N
XLogP4.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(3-hydroxypropyl)urea
CID 110891167
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 36644566
N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112813566
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[4-(2-benzylsulfanylethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18195771

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 55555083) is N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is CC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccsc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is APYQWOCPEYXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-23(2,3)19-14-20(27(26-19)15-17-8-5-4-6-9-17)25-21(28)10-7-12-24-22(29)18-11-13-30-16-18/h4-6,8-9,11,13-14,16H,7,10,12,15H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 55555083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).