N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H18FN3O3S — CID 77096473

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-19-13(8-9-18-19)4-7-15(20)17-10-11-23(21,22)14-5-2-12(16)3-6-14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,20)
InChIKeyNJSVCVONUINDEC-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 77096473) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID77096473
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-19-13(8-9-18-19)4-7-15(20)17-10-11-23(21,22)14-5-2-12(16)3-6-14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,20)
InChIKeyNJSVCVONUINDEC-UHFFFAOYSA-N
XLogP1.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide 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-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
2-methyl-5-[2-(2-methylpyrazol-3-yl)ethylsulfonyl]benzoic acid
CID 103002790
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 72854238
3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide
CID 9205248
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166385837
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 77096473) is N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is NJSVCVONUINDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-19-13(8-9-18-19)4-7-15(20)17-10-11-23(21,22)14-5-2-12(16)3-6-14/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 339.39 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 77096473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).