N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide

C16H16N2O2S — CID 62969444

IUPACN-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C(N)=S)cc2)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-10-3-8-13(14(19)9-10)16(20)18(2)12-6-4-11(5-7-12)15(17)21/h3-9,19H,1-2H3,(H2,17,21)
InChIKeyMBNXITIPDKZWPO-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.61
Rot. Bonds3

About N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide

N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide (PubChem CID 62969444) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
PubChem CID62969444
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C(N)=S)cc2)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-10-3-8-13(14(19)9-10)16(20)18(2)12-6-4-11(5-7-12)15(17)21/h3-9,19H,1-2H3,(H2,17,21)
InChIKeyMBNXITIPDKZWPO-UHFFFAOYSA-N
XLogP2.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
CID 62969603
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(4-carbamothioylphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102801557
N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 62969966
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
CID 102705474
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
CID 22590781
N-(4-carbamothioylphenyl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 66129045
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide (CID 62969444) is N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)c2ccc(C(N)=S)cc2)c(O)c1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide?
The InChIKey is MBNXITIPDKZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-3-8-13(14(19)9-10)16(20)18(2)12-6-4-11(5-7-12)15(17)21/h3-9,19H,1-2H3,(H2,17,21).
What are the key properties of N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide?
N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 62969444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).