N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide

C17H20N2O3S — CID 131961898

IUPACN-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNS(=O)(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-6-3-4-8-16(13)12-23(21,22)18-11-15-7-5-9-17(10-15)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyNAMZEMYWAVQXOU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.57
Rot. Bonds6

About N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide

N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide (PubChem CID 131961898) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
PubChem CID131961898
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNS(=O)(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-6-3-4-8-16(13)12-23(21,22)18-11-15-7-5-9-17(10-15)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyNAMZEMYWAVQXOU-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224462
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
CID 96551003
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
CID 86893492
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110416275

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide (CID 131961898) is N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNS(=O)(=O)Cc2ccccc2C)c1.
What is the InChIKey of N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide?
The InChIKey is NAMZEMYWAVQXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-6-3-4-8-16(13)12-23(21,22)18-11-15-7-5-9-17(10-15)19-14(2)20/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide?
N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 131961898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).