N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide

C25H32N4O2S — CID 42733092

IUPACN-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H32N4O2S/c1-18(2)16-28(24(31)14-20-12-9-13-32-20)17-23(30)26-22-15-21(25(3,4)5)27-29(22)19-10-7-6-8-11-19/h6-13,15,18H,14,16-17H2,1-5H3,(H,26,30)
InChIKeyNJIQTFWRSJQWQG-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.90
Rot. Bonds8

About N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide

N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 42733092) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
PubChem CID42733092
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H32N4O2S/c1-18(2)16-28(24(31)14-20-12-9-13-32-20)17-23(30)26-22-15-21(25(3,4)5)27-29(22)19-10-7-6-8-11-19/h6-13,15,18H,14,16-17H2,1-5H3,(H,26,30)
InChIKeyNJIQTFWRSJQWQG-UHFFFAOYSA-N
XLogP4.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,9aR)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide
CID 53318805
(3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide
CID 23647740
(3R,6S,9aS)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide
CID 23647741
(3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide
CID 23647742
(6S,9aR)-2,2-dimethyl-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-[1,3]thiazolo[3,2-a]azepine-3-carboxamide
CID 90654403
(3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide
CID 23647743
2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2080443
5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
CID 2123569
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 2395532
5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 2414907
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 2473799
N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 2742763

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide (CID 42733092) is N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is NJIQTFWRSJQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-18(2)16-28(24(31)14-20-12-9-13-32-20)17-23(30)26-22-15-21(25(3,4)5)27-29(22)19-10-7-6-8-11-19/h6-13,15,18H,14,16-17H2,1-5H3,(H,26,30).
What are the key properties of N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide?
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 452.62 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).