N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H16N2OS — CID 9462599

IUPACN-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1cccc(/C=N\NC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C16H16N2OS/c1-11-4-2-5-12(8-11)10-17-18-16(19)15-9-13-6-3-7-14(13)20-15/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,19)/b17-10-
InChIKeyUDWPPXPHDUENSP-YVLHZVERSA-N
MW284.38 g/mol
LogP3.31
Rot. Bonds3

About N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 9462599) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID9462599
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1cccc(/C=N\NC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C16H16N2OS/c1-11-4-2-5-12(8-11)10-17-18-16(19)15-9-13-6-3-7-14(13)20-15/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,19)/b17-10-
InChIKeyUDWPPXPHDUENSP-YVLHZVERSA-N
XLogP3.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462390
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462691
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462526
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135684098
N-[(2-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2663634
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462729
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462294
N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462315
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2124343
N-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462269
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 9462599) is N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1cccc(/C=N\NC(=O)c2cc3c(s2)CCC3)c1.
What is the InChIKey of N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is UDWPPXPHDUENSP-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-4-2-5-12(8-11)10-17-18-16(19)15-9-13-6-3-7-14(13)20-15/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 9462599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).