N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide

C18H20N2O4S — CID 154198848

IUPACN-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CS(=O)(=O)Cc1ccccc1NC(C)=O
InChIInChI=1S/C18H20N2O4S/c1-13(21)19-17-9-5-3-7-15(17)11-25(23,24)12-16-8-4-6-10-18(16)20-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMXHVMHPLEPUYLR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide

N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide (PubChem CID 154198848) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
PubChem CID154198848
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CS(=O)(=O)Cc1ccccc1NC(C)=O
InChIInChI=1S/C18H20N2O4S/c1-13(21)19-17-9-5-3-7-15(17)11-25(23,24)12-16-8-4-6-10-18(16)20-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMXHVMHPLEPUYLR-UHFFFAOYSA-N
XLogP2.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
(2S)-2-amino-N-[2-(benzenesulfonylmethyl)phenyl]propanamide
CID 122147122

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide (CID 154198848) is N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide is CC(=O)Nc1ccccc1CS(=O)(=O)Cc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide?
The InChIKey is MXHVMHPLEPUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(21)19-17-9-5-3-7-15(17)11-25(23,24)12-16-8-4-6-10-18(16)20-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide?
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide is sourced from PubChem (CID 154198848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).