N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide

C23H23NOS — CID 4787633

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
SMILESCSc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-24(17-18-13-15-21(26-2)16-14-18)23(25)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3
InChIKeyHVDLYQCDNAEBPX-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.20
Rot. Bonds6

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide (PubChem CID 4787633) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
PubChem CID4787633
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
SMILESCSc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-24(17-18-13-15-21(26-2)16-14-18)23(25)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3
InChIKeyHVDLYQCDNAEBPX-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide (CID 4787633) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide is CSc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide?
The InChIKey is HVDLYQCDNAEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NOS/c1-24(17-18-13-15-21(26-2)16-14-18)23(25)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide has a molecular weight of 361.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).