2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide

C25H26N2O3S — CID 25163128

IUPAC2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-27(17-23(28)26-21-13-15-22(30-2)16-14-21)24(29)18-31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,28)
InChIKeyPTHNBLFFFZWFMP-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.61
Rot. Bonds9

About 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide

2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 25163128) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID25163128
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-27(17-23(28)26-21-13-15-22(30-2)16-14-21)24(29)18-31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,28)
InChIKeyPTHNBLFFFZWFMP-UHFFFAOYSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide (CID 25163128) is 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PTHNBLFFFZWFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-27(17-23(28)26-21-13-15-22(30-2)16-14-21)24(29)18-31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,28).
What are the key properties of 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 434.56 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzhydrylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 25163128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).