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

C19H22N4O3S3 — CID 24680383

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2
InChIInChI=1S/C19H22N4O3S3/c20-13-15-14-3-1-4-16(14)28-19(15)21-17(24)6-7-22-8-10-23(11-9-22)29(25,26)18-5-2-12-27-18/h2,5,12H,1,3-4,6-11H2,(H,21,24)
InChIKeyBHDWVAJNEDAUMP-UHFFFAOYSA-N
MW450.61 g/mol
LogP2.51
Rot. Bonds6

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 24680383) has the molecular formula C19H22N4O3S3 and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID24680383
Molecular FormulaC19H22N4O3S3
Molecular Weight450.61 g/mol
Exact Mass450.09
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2
InChIInChI=1S/C19H22N4O3S3/c20-13-15-14-3-1-4-16(14)28-19(15)21-17(24)6-7-22-8-10-23(11-9-22)29(25,26)18-5-2-12-27-18/h2,5,12H,1,3-4,6-11H2,(H,21,24)
InChIKeyBHDWVAJNEDAUMP-UHFFFAOYSA-N
XLogP2.51
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 8688142
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 112798733
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826355
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 55504345
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3443144
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24589235
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propanamide
CID 166233229
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16800096
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 24585966
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 8703871
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-1-yl)propanamide;oxalic acid
CID 45042536
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 8546057

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 24680383) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is BHDWVAJNEDAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S3/c20-13-15-14-3-1-4-16(14)28-19(15)21-17(24)6-7-22-8-10-23(11-9-22)29(25,26)18-5-2-12-27-18/h2,5,12H,1,3-4,6-11H2,(H,21,24).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 450.61 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 24680383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).