2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide

C25H29ClN4O2S — CID 3191223

IUPAC2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN4O2S/c1-17-22(16-29(2)28-17)24(25(32)27-19-7-4-3-5-8-19)30(20-12-10-18(26)11-13-20)23(31)15-21-9-6-14-33-21/h6,9-14,16,19,24H,3-5,7-8,15H2,1-2H3,(H,27,32)
InChIKeyPISKCYGQQAINRK-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.21
Rot. Bonds7

About 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide

2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 3191223) has the molecular formula C25H29ClN4O2S and a molecular weight of 485.05 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID3191223
Molecular FormulaC25H29ClN4O2S
Molecular Weight485.05 g/mol
Exact Mass484.17
IUPAC Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN4O2S/c1-17-22(16-29(2)28-17)24(25(32)27-19-7-4-3-5-8-19)30(20-12-10-18(26)11-13-20)23(31)15-21-9-6-14-33-21/h6,9-14,16,19,24H,3-5,7-8,15H2,1-2H3,(H,27,32)
InChIKeyPISKCYGQQAINRK-UHFFFAOYSA-N
XLogP5.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide 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-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[4-[3-[(dimethylamino)methyl]pyrazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 44456388
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155512930
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 155545798
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-ethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191217
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-isopropyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191218
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-thiophen-2-yl-acetyl)-o-tolyl-amino]-acetamide
CID 3191219
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24979140
N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 24996590
1-(2-((2S,4R)-2-(2''-chloro-2-fluorobiphenyl-3-ylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-4-(thiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 126618545
2-chloro-6-fluoro-N-{2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}benzamide
CID 86266350
1-(4-chlorophenyl)-7-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130241

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide (CID 3191223) is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is PISKCYGQQAINRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2S/c1-17-22(16-29(2)28-17)24(25(32)27-19-7-4-3-5-8-19)30(20-12-10-18(26)11-13-20)23(31)15-21-9-6-14-33-21/h6,9-14,16,19,24H,3-5,7-8,15H2,1-2H3,(H,27,32).
What are the key properties of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide?
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 485.05 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3191223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).