N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H14N2O2S — CID 31363766

IUPACN-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C16H14N2O2S/c17-8-9-20-13-6-4-12(5-7-13)18-16(19)15-10-11-2-1-3-14(11)21-15/h4-7,10H,1-3,9H2,(H,18,19)
InChIKeyBEEFVLIWSHHRNU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 31363766) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID31363766
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C16H14N2O2S/c17-8-9-20-13-6-4-12(5-7-13)18-16(19)15-10-11-2-1-3-14(11)21-15/h4-7,10H,1-3,9H2,(H,18,19)
InChIKeyBEEFVLIWSHHRNU-UHFFFAOYSA-N
XLogP3.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46433939
N-[4-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792801
N-[4-(2-chloroethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114299179
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 37438512
3-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)phenyl]propanoic acid
CID 119252527
N-[4-(2-methylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 26286826
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462729
N-(6-phenoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 56799313
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 110899645
(4-acetamidophenyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 39644903
N'-[2-(4-ethoxyphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 26872848

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 31363766) is N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is N#CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is BEEFVLIWSHHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-8-9-20-13-6-4-12(5-7-13)18-16(19)15-10-11-2-1-3-14(11)21-15/h4-7,10H,1-3,9H2,(H,18,19).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 31363766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).