N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide

C18H20N2OS — CID 27493701

IUPACN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C2/CCCc3ccccc32)cs1
InChIInChI=1S/C18H20N2OS/c1-12(2)17-10-14(11-22-17)18(21)20-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,20,21)/b19-16-
InChIKeyHJOPMCLYQFIOLW-MNDPQUGUSA-N
MW312.44 g/mol
LogP4.34
Rot. Bonds3

About N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide

N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 27493701) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID27493701
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C2/CCCc3ccccc32)cs1
InChIInChI=1S/C18H20N2OS/c1-12(2)17-10-14(11-22-17)18(21)20-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,20,21)/b19-16-
InChIKeyHJOPMCLYQFIOLW-MNDPQUGUSA-N
XLogP4.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.34
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

2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 5419553
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide (CID 27493701) is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)N/N=C2/CCCc3ccccc32)cs1.
What is the InChIKey of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is HJOPMCLYQFIOLW-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12(2)17-10-14(11-22-17)18(21)20-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,20,21)/b19-16-.
What are the key properties of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 27493701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).