N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide

C18H13ClN2O2S — CID 1237486

IUPACN-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cc(-c2ccccc2)sc1Cl)c1cccc(O)c1
InChIInChI=1S/C18H13ClN2O2S/c19-17-14(10-16(24-17)12-5-2-1-3-6-12)11-20-21-18(23)13-7-4-8-15(22)9-13/h1-11,22H,(H,21,23)
InChIKeyNALIDGDPEWVSHK-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.54
Rot. Bonds4

About N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide

N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 1237486) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID1237486
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC NameN-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cc(-c2ccccc2)sc1Cl)c1cccc(O)c1
InChIInChI=1S/C18H13ClN2O2S/c19-17-14(10-16(24-17)12-5-2-1-3-6-12)11-20-21-18(23)13-7-4-8-15(22)9-13/h1-11,22H,(H,21,23)
InChIKeyNALIDGDPEWVSHK-UHFFFAOYSA-N
XLogP4.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
(NZ)-N-[(2-chloro-5-phenylthiophen-3-yl)methylidene]hydroxylamine
CID 6102931
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-[[4-chloro-5-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
CID 6879448
N-[(E)-(7-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137290368
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide (CID 1237486) is N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide is O=C(NN=Cc1cc(-c2ccccc2)sc1Cl)c1cccc(O)c1.
What is the InChIKey of N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is NALIDGDPEWVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c19-17-14(10-16(24-17)12-5-2-1-3-6-12)11-20-21-18(23)13-7-4-8-15(22)9-13/h1-11,22H,(H,21,23).
What are the key properties of N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide?
N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 356.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 1237486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).