N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide

C17H18N2O3S — CID 884330

IUPACN-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-8-9-14(15(11-13)22-2)18-17(23)19-16(20)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23)
InChIKeyOTVQXBLDWXLWOE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.76
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 884330) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID884330
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-8-9-14(15(11-13)22-2)18-17(23)19-16(20)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23)
InChIKeyOTVQXBLDWXLWOE-UHFFFAOYSA-N
XLogP2.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide (CID 884330) is N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide is COc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is OTVQXBLDWXLWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-13-8-9-14(15(11-13)22-2)18-17(23)19-16(20)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 884330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).