N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C25H26N4O2S — CID 25480851

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1
InChIInChI=1S/C25H26N4O2S/c1-17-11-13-19(14-12-17)24(21-10-7-15-32-21)26-16-22(30)27-23-18(2)28(3)29(25(23)31)20-8-5-4-6-9-20/h4-15,24,26H,16H2,1-3H3,(H,27,30)/t24-/m1/s1
InChIKeyGOVUNSUTMZIYJN-XMMPIXPASA-N
MW446.58 g/mol
LogP4.17
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 25480851) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID25480851
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1
InChIInChI=1S/C25H26N4O2S/c1-17-11-13-19(14-12-17)24(21-10-7-15-32-21)26-16-22(30)27-23-18(2)28(3)29(25(23)31)20-8-5-4-6-9-20/h4-15,24,26H,16H2,1-3H3,(H,27,30)/t24-/m1/s1
InChIKeyGOVUNSUTMZIYJN-XMMPIXPASA-N
XLogP4.17
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]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

2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827697
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 648425
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 51135422
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 25480851) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is Cc1ccc([C@@H](NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is GOVUNSUTMZIYJN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-11-13-19(14-12-17)24(21-10-7-15-32-21)26-16-22(30)27-23-18(2)28(3)29(25(23)31)20-8-5-4-6-9-20/h4-15,24,26H,16H2,1-3H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 446.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 25480851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).