N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide

C15H14N2O3S — CID 29032119

IUPACN-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(N)=S)c2)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-20-11-5-6-12(13(18)8-11)15(19)17-10-4-2-3-9(7-10)14(16)21/h2-8,18H,1H3,(H2,16,21)(H,17,19)
InChIKeyUMWXTOCCVCVDGL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.29
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide

N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 29032119) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
PubChem CID29032119
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(N)=S)c2)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-20-11-5-6-12(13(18)8-11)15(19)17-10-4-2-3-9(7-10)14(16)21/h2-8,18H,1H3,(H2,16,21)(H,17,19)
InChIKeyUMWXTOCCVCVDGL-UHFFFAOYSA-N
XLogP2.29
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.29
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

2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
4-bromo-N-(3-carbamothioylphenyl)-2-methoxybenzamide
CID 115369085
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
3-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 7375040

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide (CID 29032119) is N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C(N)=S)c2)c(O)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is UMWXTOCCVCVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-11-5-6-12(13(18)8-11)15(19)17-10-4-2-3-9(7-10)14(16)21/h2-8,18H,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide?
N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 302.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 29032119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).