N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide

C22H24FN3OS — CID 56525372

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
SMILESCC(c1ccccc1F)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1
InChIInChI=1S/C22H24FN3OS/c1-14(16-5-2-3-7-19(16)23)26(15-9-10-15)12-11-21(27)25-22-18(13-24)17-6-4-8-20(17)28-22/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,25,27)
InChIKeyWDFIKHHFXOZUKW-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.80
Rot. Bonds7

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide (PubChem CID 56525372) has the molecular formula C22H24FN3OS and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
PubChem CID56525372
Molecular FormulaC22H24FN3OS
Molecular Weight397.52 g/mol
Exact Mass397.16
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
SMILESCC(c1ccccc1F)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1
InChIInChI=1S/C22H24FN3OS/c1-14(16-5-2-3-7-19(16)23)26(15-9-10-15)12-11-21(27)25-22-18(13-24)17-6-4-8-20(17)28-22/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,25,27)
InChIKeyWDFIKHHFXOZUKW-UHFFFAOYSA-N
XLogP4.80
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 51431521
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 27067386
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanamide
CID 9036031
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397833
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 24589152
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377097
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(dipropylamino)propanamide
CID 34599896
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050116
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 24595057
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24506948
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 27082810
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
CID 7565003

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide (CID 56525372) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide is CC(c1ccccc1F)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The InChIKey is WDFIKHHFXOZUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3OS/c1-14(16-5-2-3-7-19(16)23)26(15-9-10-15)12-11-21(27)25-22-18(13-24)17-6-4-8-20(17)28-22/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,25,27).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 56525372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).