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

C16H14N2O2S — CID 958575

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C16H14N2O2S/c1-20-13-7-3-2-5-11(13)15(19)18-16-12(9-17)10-6-4-8-14(10)21-16/h2-3,5,7H,4,6,8H2,1H3,(H,18,19)
InChIKeyNXCKUQHMCRZBRY-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.37
Rot. Bonds3

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide (PubChem CID 958575) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide
PubChem CID958575
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C16H14N2O2S/c1-20-13-7-3-2-5-11(13)15(19)18-16-12(9-17)10-6-4-8-14(10)21-16/h2-3,5,7H,4,6,8H2,1H3,(H,18,19)
InChIKeyNXCKUQHMCRZBRY-UHFFFAOYSA-N
XLogP3.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,6-dimethoxybenzamide
CID 686671
Methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 1088392
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
CID 1130986
4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
CID 1221824
2-(diethylamino)-N-[3-(2-methoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide
CID 1442549
methyl 2-{[4-(2-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1564297
(E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 168298029
2-[(2-Methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 679570
2-[(2-Methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1008842
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
CID 689737
Ethyl 2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[B]thiophene-3-carboxylate
CID 1182548
4-cyano-5-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,3-trimethylthiophene-2-carboxamide
CID 1245950

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide (CID 958575) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide?
The InChIKey is NXCKUQHMCRZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-13-7-3-2-5-11(13)15(19)18-16-12(9-17)10-6-4-8-14(10)21-16/h2-3,5,7H,4,6,8H2,1H3,(H,18,19).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide has a molecular weight of 298.37 g/mol, XLogP of 3.37, 3 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-methoxybenzamide is sourced from PubChem (CID 958575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).