N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide

C22H16Cl2N2O2S — CID 2421234

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2
InChIInChI=1S/C22H16Cl2N2O2S/c23-14-9-8-13(18(24)10-14)12-28-19-6-2-1-4-16(19)21(27)26-22-17(11-25)15-5-3-7-20(15)29-22/h1-2,4,6,8-10H,3,5,7,12H2,(H,26,27)
InChIKeyVKWFUEWZALEIIE-UHFFFAOYSA-N
MW443.36 g/mol
LogP6.25
Rot. Bonds5

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 2421234) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID2421234
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2
InChIInChI=1S/C22H16Cl2N2O2S/c23-14-9-8-13(18(24)10-14)12-28-19-6-2-1-4-16(19)21(27)26-22-17(11-25)15-5-3-7-20(15)29-22/h1-2,4,6,8-10H,3,5,7,12H2,(H,26,27)
InChIKeyVKWFUEWZALEIIE-UHFFFAOYSA-N
XLogP6.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide with MolForge

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methoxybenzamide
CID 2175832
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-methoxybenzamide
CID 4155584
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)naphthalene-1-carboxamide
CID 924830
5-bromo-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 2415224
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270152
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
CID 7565003
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4148471
2,5-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-3-carboxamide
CID 4154952
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxybenzamide
CID 4778900

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide (CID 2421234) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide is N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is VKWFUEWZALEIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c23-14-9-8-13(18(24)10-14)12-28-19-6-2-1-4-16(19)21(27)26-22-17(11-25)15-5-3-7-20(15)29-22/h1-2,4,6,8-10H,3,5,7,12H2,(H,26,27).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 443.36 g/mol, XLogP of 6.25, 5 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)-2-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 2421234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).