N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H22N2O4S — CID 174203620

IUPACN-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(/C=C/S(C)(=O)=O)NC(=O)c1cc2c(nc1Oc1ccccc1)CCC2
InChIInChI=1S/C20H22N2O4S/c1-14(11-12-27(2,24)25)21-19(23)17-13-15-7-6-10-18(15)22-20(17)26-16-8-4-3-5-9-16/h3-5,8-9,11-14H,6-7,10H2,1-2H3,(H,21,23)/b12-11+
InChIKeyAVAUQEQLSIVXJD-VAWYXSNFSA-N
MW386.47 g/mol
LogP3.04
Rot. Bonds6

About N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 174203620) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID174203620
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(/C=C/S(C)(=O)=O)NC(=O)c1cc2c(nc1Oc1ccccc1)CCC2
InChIInChI=1S/C20H22N2O4S/c1-14(11-12-27(2,24)25)21-19(23)17-13-15-7-6-10-18(15)22-20(17)26-16-8-4-3-5-9-16/h3-5,8-9,11-14H,6-7,10H2,1-2H3,(H,21,23)/b12-11+
InChIKeyAVAUQEQLSIVXJD-VAWYXSNFSA-N
XLogP3.04
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[cyclopropyl(difluoro)methyl]-N-[(E)-4-methylsulfonylbut-3-en-2-yl]-4-phenoxypyrimidine-5-carboxamide
CID 174208561
2-[(1R,3S)-3-methylcyclopentyl]-N-[(E)-4-methylsulfonylbut-3-en-2-yl]-4-phenoxypyrimidine-5-carboxamide
CID 174204607
4-cyclopentyl-N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxybenzamide
CID 174200852
2-tert-butyl-N-[(E,1S)-1-cyclobutyl-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
CID 170718097
2-cyclopentyl-4-(2-methylphenoxy)-N-[(E)-4-methylsulfonylbut-3-en-2-yl]pyrimidine-5-carboxamide
CID 174204684
4-(2-chlorophenoxy)-2-cyclopentyl-N-(4-methylsulfonylbut-3-en-2-yl)pyrimidine-5-carboxamide
CID 174203934
2-tert-butyl-N-[(E)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-4-phenoxypyrimidine-5-carboxamide
CID 174196378
2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702932
N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-4-phenoxy-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 174202767
2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63649585
2-(4-bromophenoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62702572
N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoropropyl)-4-phenoxypyrimidine-5-carboxamide
CID 170718383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 174203620) is N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(/C=C/S(C)(=O)=O)NC(=O)c1cc2c(nc1Oc1ccccc1)CCC2.
What is the InChIKey of N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is AVAUQEQLSIVXJD-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14(11-12-27(2,24)25)21-19(23)17-13-15-7-6-10-18(15)22-20(17)26-16-8-4-3-5-9-16/h3-5,8-9,11-14H,6-7,10H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 174203620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).