N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C23H25N3O3S — CID 55726000

IUPACN-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1N(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H25N3O3S/c1-18-11-7-9-15-21(18)26(30(3,28)29)17-23(27)24-20-14-8-10-16-22(20)25(2)19-12-5-4-6-13-19/h4-16H,17H2,1-3H3,(H,24,27)
InChIKeyDSQFTODTODKXRG-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 55726000) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID55726000
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1N(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H25N3O3S/c1-18-11-7-9-15-21(18)26(30(3,28)29)17-23(27)24-20-14-8-10-16-22(20)25(2)19-12-5-4-6-13-19/h4-16H,17H2,1-3H3,(H,24,27)
InChIKeyDSQFTODTODKXRG-UHFFFAOYSA-N
XLogP4.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55389024
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 32511900
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 55726000) is N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)Nc1ccccc1N(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is DSQFTODTODKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18-11-7-9-15-21(18)26(30(3,28)29)17-23(27)24-20-14-8-10-16-22(20)25(2)19-12-5-4-6-13-19/h4-16H,17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 55726000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).