N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide

C16H16N2O2S — CID 62971504

IUPACN-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-7-5-6-12(10-13)16(17)21)15(19)11-20-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H2,17,21)
InChIKeyXCGPOEVCQCDDDN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.36
Rot. Bonds5

About N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide

N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide (PubChem CID 62971504) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
PubChem CID62971504
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
SMILESCN(C(=O)COc1ccccc1)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-7-5-6-12(10-13)16(17)21)15(19)11-20-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H2,17,21)
InChIKeyXCGPOEVCQCDDDN-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80722470
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-methylpropyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969637
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide (CID 62971504) is N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide is CN(C(=O)COc1ccccc1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide?
The InChIKey is XCGPOEVCQCDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(13-7-5-6-12(10-13)16(17)21)15(19)11-20-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H2,17,21).
What are the key properties of N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide?
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 62971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).