N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide

C17H20N2O3S — CID 71968049

IUPACN-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(20)19-16-8-6-14(7-9-16)11-18-17-5-3-4-15(10-17)12-23(2,21)22/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyZEXCXGSUVZEVLZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide

N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide (PubChem CID 71968049) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide
PubChem CID71968049
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cccc(CS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(20)19-16-8-6-14(7-9-16)11-18-17-5-3-4-15(10-17)12-23(2,21)22/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyZEXCXGSUVZEVLZ-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide (CID 71968049) is N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2cccc(CS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide?
The InChIKey is ZEXCXGSUVZEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(20)19-16-8-6-14(7-9-16)11-18-17-5-3-4-15(10-17)12-23(2,21)22/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide?
N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(methylsulfonylmethyl)anilino]methyl]phenyl]acetamide is sourced from PubChem (CID 71968049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).