N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide

C15H14N2O3S — CID 107703258

IUPACN-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)cc(O)c1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H14N2O3S/c1-17(11-4-2-3-9(5-11)14(16)21)15(20)10-6-12(18)8-13(19)7-10/h2-8,18-19H,1H3,(H2,16,21)
InChIKeyOHWLSGBERWBFJJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.01
Rot. Bonds3

About N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide

N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide (PubChem CID 107703258) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
PubChem CID107703258
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)cc(O)c1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H14N2O3S/c1-17(11-4-2-3-9(5-11)14(16)21)15(20)10-6-12(18)8-13(19)7-10/h2-8,18-19H,1H3,(H2,16,21)
InChIKeyOHWLSGBERWBFJJ-UHFFFAOYSA-N
XLogP2.01
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-(3-carbamothioylphenyl)-3,4-dichloro-N-methylbenzamide
CID 62969759
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 62970121
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
5-bromo-N-(3-carbamothioylphenyl)-N-methylthiophene-2-carboxamide
CID 62972030
N-(3-carbamothioylphenyl)-5-chloro-N-methylthiophene-2-carboxamide
CID 62972039
5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
CID 62969760

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide (CID 107703258) is N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide is CN(C(=O)c1cc(O)cc(O)c1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is OHWLSGBERWBFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17(11-4-2-3-9(5-11)14(16)21)15(20)10-6-12(18)8-13(19)7-10/h2-8,18-19H,1H3,(H2,16,21).
What are the key properties of N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide?
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 302.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107703258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).