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

C17H13ClN2O2S — CID 5404510

IUPACN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1
InChIInChI=1S/C17H13ClN2O2S/c1-10(15-6-7-16(18)23-15)19-20-17(22)13-8-11-4-2-3-5-12(11)9-14(13)21/h2-9,21H,1H3,(H,20,22)/b19-10-
InChIKeyMKFPUCBYRHHOGV-GRSHGNNSSA-N
MW344.82 g/mol
LogP4.41
Rot. Bonds3

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

N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 5404510) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID5404510
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1
InChIInChI=1S/C17H13ClN2O2S/c1-10(15-6-7-16(18)23-15)19-20-17(22)13-8-11-4-2-3-5-12(11)9-14(13)21/h2-9,21H,1H3,(H,20,22)/b19-10-
InChIKeyMKFPUCBYRHHOGV-GRSHGNNSSA-N
XLogP4.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.41
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-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
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
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 5404510) is N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1.
What is the InChIKey of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is MKFPUCBYRHHOGV-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-10(15-6-7-16(18)23-15)19-20-17(22)13-8-11-4-2-3-5-12(11)9-14(13)21/h2-9,21H,1H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 5404510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).