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

C27H28ClF2N3O3S — CID 170143948

IUPAC2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
SMILESCCc1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2
InChIInChI=1S/C27H28ClF2N3O3S/c1-3-16-12-19(18-9-10-20(17-7-8-17)23(28)13-18)11-15(2)22(16)14-25(34)32-37(35,36)26-21-5-4-6-24(21)33(31-26)27(29)30/h9-13,17,27H,3-8,14H2,1-2H3,(H,32,34)
InChIKeyVDNNSFYDKVRALT-UHFFFAOYSA-N
MW548.06 g/mol
LogP5.88
Rot. Bonds8

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

2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide (PubChem CID 170143948) has the molecular formula C27H28ClF2N3O3S and a molecular weight of 548.06 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
PubChem CID170143948
Molecular FormulaC27H28ClF2N3O3S
Molecular Weight548.06 g/mol
Exact Mass547.15
IUPAC Name2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
SMILESCCc1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2
InChIInChI=1S/C27H28ClF2N3O3S/c1-3-16-12-19(18-9-10-20(17-7-8-17)23(28)13-18)11-15(2)22(16)14-25(34)32-37(35,36)26-21-5-4-6-24(21)33(31-26)27(29)30/h9-13,17,27H,3-8,14H2,1-2H3,(H,32,34)
InChIKeyVDNNSFYDKVRALT-UHFFFAOYSA-N
XLogP5.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.06
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide with MolForge

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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-(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
2-[4-[1-(3-chloro-2,4-difluorophenyl)ethyl]-2-cyclopropyl-6-methylphenyl]-N-[(6,6-dimethyl-5-oxo-4,7-dihydropyrazolo[1,5-a]pyridin-2-yl)sulfonyl]acetamide
CID 170144593
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-ethyl-6-methylphenyl]-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-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide (CID 170143948) is 2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-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-ethyl-6-methylphenyl]-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-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide is CCc1cc(-c2ccc(C3CC3)c(Cl)c2)cc(C)c1CC(=O)NS(=O)(=O)c1nn(C(F)F)c2c1CCC2.
What is the InChIKey of 2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
The InChIKey is VDNNSFYDKVRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF2N3O3S/c1-3-16-12-19(18-9-10-20(17-7-8-17)23(28)13-18)11-15(2)22(16)14-25(34)32-37(35,36)26-21-5-4-6-24(21)33(31-26)27(29)30/h9-13,17,27H,3-8,14H2,1-2H3,(H,32,34).
What are the key properties of 2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide?
2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide has a molecular weight of 548.06 g/mol, XLogP of 5.88, 8 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-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide is sourced from PubChem (CID 170143948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).