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

C23H25FN2O3S — CID 159304487

IUPACN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C)c1F
InChIInChI=1S/C23H25FN2O3S/c1-3-11-30(28,29)26-21-10-9-17(14(2)23(21)24)19-12-16(13-22(27)15-7-8-15)25-20-6-4-5-18(19)20/h4-5,9-10,12,15,26H,3,6-8,11,13H2,1-2H3
InChIKeyLBTANDIIDITESQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.44
Rot. Bonds8

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

N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide (PubChem CID 159304487) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide
PubChem CID159304487
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C)c1F
InChIInChI=1S/C23H25FN2O3S/c1-3-11-30(28,29)26-21-10-9-17(14(2)23(21)24)19-12-16(13-22(27)15-7-8-15)25-20-6-4-5-18(19)20/h4-5,9-10,12,15,26H,3,6-8,11,13H2,1-2H3
InChIKeyLBTANDIIDITESQ-UHFFFAOYSA-N
XLogP4.44
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide (CID 159304487) is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cc(CC(=O)C3CC3)nc3c2C=CC3)c(C)c1F.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide?
The InChIKey is LBTANDIIDITESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-3-11-30(28,29)26-21-10-9-17(14(2)23(21)24)19-12-16(13-22(27)15-7-8-15)25-20-6-4-5-18(19)20/h4-5,9-10,12,15,26H,3,6-8,11,13H2,1-2H3.
What are the key properties of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide?
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-2-fluoro-3-methylphenyl]propane-1-sulfonamide has a molecular weight of 428.53 g/mol, XLogP of 4.44, 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]-2-fluoro-3-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 159304487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).