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

C15H11IN2OS — CID 3353734

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(I)c2)sc2c1CCC2
InChIInChI=1S/C15H11IN2OS/c16-10-4-1-3-9(7-10)14(19)18-15-12(8-17)11-5-2-6-13(11)20-15/h1,3-4,7H,2,5-6H2,(H,18,19)
InChIKeyOYJIYCQNWNMVFU-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.97
Rot. Bonds2

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide (PubChem CID 3353734) has the molecular formula C15H11IN2OS and a molecular weight of 394.24 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide
PubChem CID3353734
Molecular FormulaC15H11IN2OS
Molecular Weight394.24 g/mol
Exact Mass393.96
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(I)c2)sc2c1CCC2
InChIInChI=1S/C15H11IN2OS/c16-10-4-1-3-9(7-10)14(19)18-15-12(8-17)11-5-2-6-13(11)20-15/h1,3-4,7H,2,5-6H2,(H,18,19)
InChIKeyOYJIYCQNWNMVFU-UHFFFAOYSA-N
XLogP3.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-fluorobenzamide
CID 903396
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(difluoromethoxy)benzamide
CID 3461304
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-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide
CID 25044635
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1325782
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274886
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474592

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide (CID 3353734) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide is N#Cc1c(NC(=O)c2cccc(I)c2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide?
The InChIKey is OYJIYCQNWNMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2OS/c16-10-4-1-3-9(7-10)14(19)18-15-12(8-17)11-5-2-6-13(11)20-15/h1,3-4,7H,2,5-6H2,(H,18,19).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide has a molecular weight of 394.24 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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-iodobenzamide is sourced from PubChem (CID 3353734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).