N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide

C16H16N2O2S — CID 2904298

IUPACN-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-5-8-13(11-14)17-16(21)18-15(19)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,17,18,19,21)
InChIKeySNCYRLOXQMNNLE-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.75
Rot. Bonds4

About N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 2904298) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID2904298
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-5-8-13(11-14)17-16(21)18-15(19)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,17,18,19,21)
InChIKeySNCYRLOXQMNNLE-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.75
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-(3-methoxyphenyl)-2-phenylacetamide
CID 795356
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
1-(3-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
CID 751698
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
1-(M-Anisyl)-3-benzylurea
CID 2822865
N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833540
2-(4-methoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]acetamide
CID 833603
N-{[(2,4-dimethoxyphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 884330
1-(4-Fluorobenzyl)-3-(3-methoxyphenyl)thiourea
CID 886192
Methyl (4-{[(3-methoxybenzyl)carbamothioyl]amino}phenyl)acetate
CID 945291
N-(3-methoxyphenyl)-3-phenylpropanamide
CID 675010
N-benzoyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
CID 709365

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide (CID 2904298) is N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide is COc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is SNCYRLOXQMNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-9-5-8-13(11-14)17-16(21)18-15(19)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,17,18,19,21).
What are the key properties of N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 2904298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).