N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide

C19H18N2O2S — CID 3377350

IUPACN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc3ccccc3cc2O)s1
InChIInChI=1S/C19H18N2O2S/c1-3-15-8-9-18(24-15)12(2)20-21-19(23)16-10-13-6-4-5-7-14(13)11-17(16)22/h4-11,22H,3H2,1-2H3,(H,21,23)
InChIKeyIYAMNJCIAZQDPO-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.32
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3377350) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3377350
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc3ccccc3cc2O)s1
InChIInChI=1S/C19H18N2O2S/c1-3-15-8-9-18(24-15)12(2)20-21-19(23)16-10-13-6-4-5-7-14(13)11-17(16)22/h4-11,22H,3H2,1-2H3,(H,21,23)
InChIKeyIYAMNJCIAZQDPO-UHFFFAOYSA-N
XLogP4.32
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
2-(4-ethoxyphenyl)-N-[1-(5-ethylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 5122874
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599
2-amino-5-[(Z)-N-[(3-hydroxynaphthalene-2-carbonyl)amino]-C-methylcarbonimidoyl]-4-methylthiophene-3-carboxamide
CID 6063694
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 3377350) is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is CCc1ccc(C(C)=NNC(=O)c2cc3ccccc3cc2O)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is IYAMNJCIAZQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-15-8-9-18(24-15)12(2)20-21-19(23)16-10-13-6-4-5-7-14(13)11-17(16)22/h4-11,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3377350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).