2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H20N4O3S2 — CID 25036533

IUPAC2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCC2
InChIInChI=1S/C19H20N4O3S2/c20-11-15-10-14-2-1-3-17(14)23-19(15)27-12-18(24)22-9-8-13-4-6-16(7-5-13)28(21,25)26/h4-7,10H,1-3,8-9,12H2,(H,22,24)(H2,21,25,26)
InChIKeyKBFVPOBRPWBFGX-UHFFFAOYSA-N
MW416.53 g/mol
LogP1.54
Rot. Bonds7

About 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25036533) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID25036533
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCC2
InChIInChI=1S/C19H20N4O3S2/c20-11-15-10-14-2-1-3-17(14)23-19(15)27-12-18(24)22-9-8-13-4-6-16(7-5-13)28(21,25)26/h4-7,10H,1-3,8-9,12H2,(H,22,24)(H2,21,25,26)
InChIKeyKBFVPOBRPWBFGX-UHFFFAOYSA-N
XLogP1.54
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830923
N-[4-(acetylsulfamoyl)phenyl]-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 25035594
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetic acid
CID 845582
2-(2-oxopropylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 71670117
2-(2-oxopropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2885672
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25036382
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 5084092
ethyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
CID 605145
2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 571182
N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 126458568
3-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 23972918

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 25036533) is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is N#Cc1cc2c(nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCC2.
What is the InChIKey of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is KBFVPOBRPWBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c20-11-15-10-14-2-1-3-17(14)23-19(15)27-12-18(24)22-9-8-13-4-6-16(7-5-13)28(21,25)26/h4-7,10H,1-3,8-9,12H2,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).