N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide

C15H14N2O3S — CID 107805537

IUPACN-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cccc(NC(=O)c2cc(O)cc(O)c2)c1C(N)=S
InChIInChI=1S/C15H14N2O3S/c1-8-3-2-4-12(13(8)14(16)21)17-15(20)9-5-10(18)7-11(19)6-9/h2-7,18-19H,1H3,(H2,16,21)(H,17,20)
InChIKeyLBYRCDNRDFXDCL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.29
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide

N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide (PubChem CID 107805537) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
PubChem CID107805537
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cccc(NC(=O)c2cc(O)cc(O)c2)c1C(N)=S
InChIInChI=1S/C15H14N2O3S/c1-8-3-2-4-12(13(8)14(16)21)17-15(20)9-5-10(18)7-11(19)6-9/h2-7,18-19H,1H3,(H2,16,21)(H,17,20)
InChIKeyLBYRCDNRDFXDCL-UHFFFAOYSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide (CID 107805537) is N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide is Cc1cccc(NC(=O)c2cc(O)cc(O)c2)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is LBYRCDNRDFXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-3-2-4-12(13(8)14(16)21)17-15(20)9-5-10(18)7-11(19)6-9/h2-7,18-19H,1H3,(H2,16,21)(H,17,20).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide?
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide has a molecular weight of 302.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107805537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).