N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide

C16H15ClN2O2S — CID 17099861

IUPACN-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-2-10-3-5-11(6-4-10)15(21)19-16(22)18-13-9-12(17)7-8-14(13)20/h3-9,20H,2H2,1H3,(H2,18,19,21,22)
InChIKeyQGGZHIQMZJQUON-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.73
Rot. Bonds3

About N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide

N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide (PubChem CID 17099861) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
PubChem CID17099861
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-2-10-3-5-11(6-4-10)15(21)19-16(22)18-13-9-12(17)7-8-14(13)20/h3-9,20H,2H2,1H3,(H2,18,19,21,22)
InChIKeyQGGZHIQMZJQUON-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-chloro-2-[(4-ethylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688366
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
N-[(4-chloro-2-ethylphenyl)carbamothioyl]benzamide
CID 21314078
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-ethylbenzamide
CID 4000278
4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
CID 17099877

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide (CID 17099861) is N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide is CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide?
The InChIKey is QGGZHIQMZJQUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-2-10-3-5-11(6-4-10)15(21)19-16(22)18-13-9-12(17)7-8-14(13)20/h3-9,20H,2H2,1H3,(H2,18,19,21,22).
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide?
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide is sourced from PubChem (CID 17099861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).