N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide

C21H24N4O3S — CID 45207313

IUPACN-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESCC(Cc1cccs1)NC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C21H24N4O3S/c1-16(12-19-8-5-11-29-19)23-21(27)15-25-14-17(13-22-25)24-20(26)9-10-28-18-6-3-2-4-7-18/h2-8,11,13-14,16H,9-10,12,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOCZNLGOOEFTENE-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.10
Rot. Bonds10

About N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide

N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide (PubChem CID 45207313) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide
PubChem CID45207313
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide
SMILESCC(Cc1cccs1)NC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C21H24N4O3S/c1-16(12-19-8-5-11-29-19)23-21(27)15-25-14-17(13-22-25)24-20(26)9-10-28-18-6-3-2-4-7-18/h2-8,11,13-14,16H,9-10,12,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOCZNLGOOEFTENE-UHFFFAOYSA-N
XLogP3.10
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide 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-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42420524
N-[1-[2-[N-methyl-2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 171654875
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191363
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide (CID 45207313) is N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide is CC(Cc1cccs1)NC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1.
What is the InChIKey of N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide?
The InChIKey is OCZNLGOOEFTENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16(12-19-8-5-11-29-19)23-21(27)15-25-14-17(13-22-25)24-20(26)9-10-28-18-6-3-2-4-7-18/h2-8,11,13-14,16H,9-10,12,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide?
N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide has a molecular weight of 412.52 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]pyrazol-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 45207313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).