N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide

C23H22N2O2S — CID 2904945

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17(26)25(2)20-15-13-19(14-16-20)24-23(27)22(18-9-5-3-6-10-18)28-21-11-7-4-8-12-21/h3-16,22H,1-2H3,(H,24,27)
InChIKeyYOLDJMVPGQGDDZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.14
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2904945) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2904945
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17(26)25(2)20-15-13-19(14-16-20)24-23(27)22(18-9-5-3-6-10-18)28-21-11-7-4-8-12-21/h3-16,22H,1-2H3,(H,24,27)
InChIKeyYOLDJMVPGQGDDZ-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 2904945) is N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide is CC(=O)N(C)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is YOLDJMVPGQGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17(26)25(2)20-15-13-19(14-16-20)24-23(27)22(18-9-5-3-6-10-18)28-21-11-7-4-8-12-21/h3-16,22H,1-2H3,(H,24,27).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 390.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2904945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).