3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide

C17H18N2OS — CID 62877244

IUPAC3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCc1ccccc1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-11,15H,1-2H3,(H2,18,21)
InChIKeyYCLVWRIPFNXBOY-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62877244) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62877244
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCc1ccccc1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-11,15H,1-2H3,(H2,18,21)
InChIKeyYCLVWRIPFNXBOY-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62877244) is 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide is Cc1ccccc1N(C)C(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is YCLVWRIPFNXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-11,15H,1-2H3,(H2,18,21).
What are the key properties of 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 298.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62877244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).