5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide

C20H15ClN2O2S — CID 4511568

IUPAC5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)o1
InChIInChI=1S/C20H15ClN2O2S/c1-11-12(4-2-6-15(11)21)16-8-9-17(25-16)19(24)23-20-14(10-22)13-5-3-7-18(13)26-20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24)
InChIKeyXSLHQIVFZZSLGH-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.58
Rot. Bonds3

About 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide

5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide (PubChem CID 4511568) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
PubChem CID4511568
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)o1
InChIInChI=1S/C20H15ClN2O2S/c1-11-12(4-2-6-15(11)21)16-8-9-17(25-16)19(24)23-20-14(10-22)13-5-3-7-18(13)26-20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24)
InChIKeyXSLHQIVFZZSLGH-UHFFFAOYSA-N
XLogP5.58
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
CID 671952
3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1221182
5-bromo-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)furan-2-carboxamide
CID 4202020
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2983787
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methoxybenzamide
CID 962467
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988747
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446528
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
3-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 958576

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide (CID 4511568) is 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide is Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)o1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The InChIKey is XSLHQIVFZZSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-11-12(4-2-6-15(11)21)16-8-9-17(25-16)19(24)23-20-14(10-22)13-5-3-7-18(13)26-20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24).
What are the key properties of 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 4511568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).