2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide

C23H25N3O3S — CID 60609393

IUPAC2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(Cc1ccccc1)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-26(17-18-8-4-3-5-9-18)22-11-7-6-10-21(22)24-16-23(27)25-19-12-14-20(15-13-19)30(2,28)29/h3-15,24H,16-17H2,1-2H3,(H,25,27)
InChIKeySXSFZGQCKMRNAQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.78
Rot. Bonds8

About 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide

2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 60609393) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID60609393
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(Cc1ccccc1)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-26(17-18-8-4-3-5-9-18)22-11-7-6-10-21(22)24-16-23(27)25-19-12-14-20(15-13-19)30(2,28)29/h3-15,24H,16-17H2,1-2H3,(H,25,27)
InChIKeySXSFZGQCKMRNAQ-UHFFFAOYSA-N
XLogP3.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
CID 51098899
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide (CID 60609393) is 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide is CN(Cc1ccccc1)c1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is SXSFZGQCKMRNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-26(17-18-8-4-3-5-9-18)22-11-7-6-10-21(22)24-16-23(27)25-19-12-14-20(15-13-19)30(2,28)29/h3-15,24H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 60609393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).