2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide

C30H34ClF2N3O3S — CID 166008200

IUPAC2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
SMILESCC(C)c1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2
InChIInChI=1S/C30H34ClF2N3O3S/c1-16(2)23-12-20(19-10-11-21(18-8-9-18)26(31)14-19)13-24(17(3)4)25(23)15-28(37)35-40(38,39)29-22-6-5-7-27(22)36(34-29)30(32)33/h10-14,16-18,30H,5-9,15H2,1-4H3,(H,35,37)
InChIKeyXMDLZQDYIMIAIN-UHFFFAOYSA-N
MW590.14 g/mol
LogP7.26
Rot. Bonds9

About 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide

2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide (PubChem CID 166008200) has the molecular formula C30H34ClF2N3O3S and a molecular weight of 590.14 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
PubChem CID166008200
Molecular FormulaC30H34ClF2N3O3S
Molecular Weight590.14 g/mol
Exact Mass589.20
IUPAC Name2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
SMILESCC(C)c1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2
InChIInChI=1S/C30H34ClF2N3O3S/c1-16(2)23-12-20(19-10-11-21(18-8-9-18)26(31)14-19)13-24(17(3)4)25(23)15-28(37)35-40(38,39)29-22-6-5-7-27(22)36(34-29)30(32)33/h10-14,16-18,30H,5-9,15H2,1-4H3,(H,35,37)
InChIKeyXMDLZQDYIMIAIN-UHFFFAOYSA-N
XLogP7.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.14
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]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

3-{1-[2-chloro-4-(trifluoromethyl)benzyl]-3-cyclopropyl-1H-pyrazol-5-yl}-N-(pentylsulfonyl)propanamide
CID 57398548
3-{1-[2-chloro-4-(trifluoromethyl)benzyl]-3-cyclopropyl-1H-pyrazol-5-yl}-N-[(3-methylbutyl)sulfonyl]propanamide
CID 68546925
2-(2-Chlorophenyl)-2-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 132088670
2-[4-[1-(3-chloro-2,4-difluorophenyl)ethyl]-2-cyclopropyl-6-propan-2-ylphenyl]-N-[(6,6-dimethyl-5-oxo-4,7-dihydropyrazolo[1,5-a]pyridin-2-yl)sulfonyl]acetamide
CID 166008180
2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
CID 170143948
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309898

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
The IUPAC name of 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide (CID 166008200) is 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide is CC(C)c1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2.
What is the InChIKey of 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
The InChIKey is XMDLZQDYIMIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClF2N3O3S/c1-16(2)23-12-20(19-10-11-21(18-8-9-18)26(31)14-19)13-24(17(3)4)25(23)15-28(37)35-40(38,39)29-22-6-5-7-27(22)36(34-29)30(32)33/h10-14,16-18,30H,5-9,15H2,1-4H3,(H,35,37).
What are the key properties of 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide has a molecular weight of 590.14 g/mol, XLogP of 7.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide is sourced from PubChem (CID 166008200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).