4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide

C20H18N2O2S — CID 17099877

IUPAC4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2S/c1-2-13-7-9-15(10-8-13)19(24)22-20(25)21-18-16-6-4-3-5-14(16)11-12-17(18)23/h3-12,23H,2H2,1H3,(H2,21,22,24,25)
InChIKeyDXFRTRHTEGDXTI-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.23
Rot. Bonds3

About 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide

4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide (PubChem CID 17099877) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
PubChem CID17099877
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2S/c1-2-13-7-9-15(10-8-13)19(24)22-20(25)21-18-16-6-4-3-5-14(16)11-12-17(18)23/h3-12,23H,2H2,1H3,(H2,21,22,24,25)
InChIKeyDXFRTRHTEGDXTI-UHFFFAOYSA-N
XLogP4.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.23
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

N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 2993529
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393
4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide
CID 3004250
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethylbenzamide
CID 22780202
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920
4-ethyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17099913
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide?
The IUPAC name of 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide (CID 17099877) is 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide is CCc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide?
The InChIKey is DXFRTRHTEGDXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-2-13-7-9-15(10-8-13)19(24)22-20(25)21-18-16-6-4-3-5-14(16)11-12-17(18)23/h3-12,23H,2H2,1H3,(H2,21,22,24,25).
What are the key properties of 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide?
4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide is sourced from PubChem (CID 17099877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).