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

C15H10Cl2N2OS — CID 674018

IUPAC3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2
InChIInChI=1S/C15H10Cl2N2OS/c16-11-5-4-8(6-12(11)17)14(20)19-15-10(7-18)9-2-1-3-13(9)21-15/h4-6H,1-3H2,(H,19,20)
InChIKeyUOSYEEVWBJAFMK-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.67
Rot. Bonds2

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

3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (PubChem CID 674018) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
PubChem CID674018
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2
InChIInChI=1S/C15H10Cl2N2OS/c16-11-5-4-8(6-12(11)17)14(20)19-15-10(7-18)9-2-1-3-13(9)21-15/h4-6H,1-3H2,(H,19,20)
InChIKeyUOSYEEVWBJAFMK-UHFFFAOYSA-N
XLogP4.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 958576
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
4-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide
CID 4286099
4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-nitrobenzamide
CID 5051359
5-bromo-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 2415224
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 28859093
1-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(3,4-dichlorophenyl)urea
CID 4161746
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 802900

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide (CID 674018) is 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2.
What is the InChIKey of 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
The InChIKey is UOSYEEVWBJAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-11-5-4-8(6-12(11)17)14(20)19-15-10(7-18)9-2-1-3-13(9)21-15/h4-6H,1-3H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide?
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide has a molecular weight of 337.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide is sourced from PubChem (CID 674018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).