3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide

C19H16N2O2S — CID 20646016

IUPAC3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide
SMILESCc1c(O)c(C(=O)NC(=S)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C19H16N2O2S/c1-12-15-10-6-5-7-13(15)11-16(17(12)22)18(23)21-19(24)20-14-8-3-2-4-9-14/h2-11,22H,1H3,(H2,20,21,23,24)
InChIKeyDTZLIKFEBWAIHK-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.98
Rot. Bonds2

About 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide

3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide (PubChem CID 20646016) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide
PubChem CID20646016
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide
SMILESCc1c(O)c(C(=O)NC(=S)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C19H16N2O2S/c1-12-15-10-6-5-7-13(15)11-16(17(12)22)18(23)21-19(24)20-14-8-3-2-4-9-14/h2-11,22H,1H3,(H2,20,21,23,24)
InChIKeyDTZLIKFEBWAIHK-UHFFFAOYSA-N
XLogP3.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17316037
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1342378
4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-chlorobenzoic acid
CID 17114232
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17103874
N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 4197624
2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 17103881
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17317188
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17315466
2-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide
CID 5254364
5-bromo-N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 91674612

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide (CID 20646016) is 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide is Cc1c(O)c(C(=O)NC(=S)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide?
The InChIKey is DTZLIKFEBWAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-12-15-10-6-5-7-13(15)11-16(17(12)22)18(23)21-19(24)20-14-8-3-2-4-9-14/h2-11,22H,1H3,(H2,20,21,23,24).
What are the key properties of 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide?
3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(phenylcarbamothioyl)naphthalene-2-carboxamide is sourced from PubChem (CID 20646016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).