N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide

C23H23F3N2O3S — CID 157150076

IUPACN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-2-10-32(30,31)28-15-8-9-17(20(12-15)23(24,25)26)19-11-16(13-22(29)14-6-7-14)27-21-5-3-4-18(19)21/h3-4,8-9,11-12,14,28H,2,5-7,10,13H2,1H3
InChIKeyALDREVGKULJWEF-UHFFFAOYSA-N
MW464.51 g/mol
LogP5.01
Rot. Bonds8

About N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide

N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 157150076) has the molecular formula C23H23F3N2O3S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID157150076
Molecular FormulaC23H23F3N2O3S
Molecular Weight464.51 g/mol
Exact Mass464.14
IUPAC NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-2-10-32(30,31)28-15-8-9-17(20(12-15)23(24,25)26)19-11-16(13-22(29)14-6-7-14)27-21-5-3-4-18(19)21/h3-4,8-9,11-12,14,28H,2,5-7,10,13H2,1H3
InChIKeyALDREVGKULJWEF-UHFFFAOYSA-N
XLogP5.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylsulfonylamino)-3-fluorophenyl]-N-[[2-hexyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89441692
N-[2-[[5-(2-cyclopropyl-2-oxoethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide
CID 140871752
N-[2-fluoro-4-[5-[6-methyl-2-(2-phenylethynyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 147316544
N-[4-[5-[2-(3,3-dimethylbutyl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 147623490
N-[2-fluoro-4-[5-[2-(3-fluorophenyl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 148288260
N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 153121242
1-cyclopropyl-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
CID 157063511
1-[1-(cyanomethyl)cyclopropyl]-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2,6-difluorophenyl]methanesulfonamide
CID 157114649
N-[2-fluoro-4-[5-(2-hexyl-6-methyl-3-pyridinyl)-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 157305447
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclobutanesulfonamide
CID 157399932
N-[3-cyano-4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]-3,4-difluorobenzenesulfonamide
CID 157406873
1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluorophenyl]methanesulfonamide
CID 157417241

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 157150076) is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is ALDREVGKULJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3S/c1-2-10-32(30,31)28-15-8-9-17(20(12-15)23(24,25)26)19-11-16(13-22(29)14-6-7-14)27-21-5-3-4-18(19)21/h3-4,8-9,11-12,14,28H,2,5-7,10,13H2,1H3.
What are the key properties of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 464.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 157150076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).