N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide

C16H17N3O2S — CID 2725436

IUPACN-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
SMILESCCNC(=S)Nc1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-7-5-6-11(10-12)18-15(21)13-8-3-4-9-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyLQJWEDDWWRQTQX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.95
Rot. Bonds4

About N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide

N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide (PubChem CID 2725436) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
PubChem CID2725436
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide
SMILESCCNC(=S)Nc1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-7-5-6-11(10-12)18-15(21)13-8-3-4-9-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyLQJWEDDWWRQTQX-UHFFFAOYSA-N
XLogP2.95
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Salicylanilide
CID 6872
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
N-(3-aminophenyl)-2-hydroxybenzamide
CID 2725434
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
N-[3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
CID 740408
N-{3-[4-(dimethylamino)phenyl]acryloyl}-2-hydroxybenzamide
CID 740409
N-(4-{[(4-fluoroanilino)carbonyl]amino}phenyl)-2-hydroxybenzamide
CID 2813937
N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]-2-hydroxybenzamide
CID 2814073
1-[(2-Hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
CID 7785988
N-[4-(diethylamino)benzoyl]-2-hydroxy-benzamide
CID 57386026
N1-(4-{[(ethylamino)carbothioyl]amino}phenyl)-2-hydroxybenzamide
CID 2725411

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide (CID 2725436) is N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide is CCNC(=S)Nc1cccc(NC(=O)c2ccccc2O)c1.
What is the InChIKey of N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
The InChIKey is LQJWEDDWWRQTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-17-16(22)19-12-7-5-6-11(10-12)18-15(21)13-8-3-4-9-14(13)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide?
N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide has a molecular weight of 315.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamothioylamino)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 2725436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).