N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide

C14H14N2O3S — CID 840834

IUPACN-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCCc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-12-3-4-13(20-12)8-15-16-14(19)9-5-10(17)7-11(18)6-9/h3-8,17-18H,2H2,1H3,(H,16,19)
InChIKeyDHCTXDPHWQQMSL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.49
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide

N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide (PubChem CID 840834) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
PubChem CID840834
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCCc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-12-3-4-13(20-12)8-15-16-14(19)9-5-10(17)7-11(18)6-9/h3-8,17-18H,2H2,1H3,(H,16,19)
InChIKeyDHCTXDPHWQQMSL-UHFFFAOYSA-N
XLogP2.49
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
3-bromo-N-[(5-ethylthiophen-2-yl)methylideneamino]benzamide
CID 4187812
N-[(5-ethylthiophen-2-yl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 4122673
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412339
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422
3-chloro-N-[(5-ethylthiophen-2-yl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 5084932
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
CID 5083807
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide (CID 840834) is N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide is CCc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is DHCTXDPHWQQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-12-3-4-13(20-12)8-15-16-14(19)9-5-10(17)7-11(18)6-9/h3-8,17-18H,2H2,1H3,(H,16,19).
What are the key properties of N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide?
N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 840834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).