N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide

C23H24N2O3S — CID 86962162

IUPACN-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-25(22-13-6-3-7-14-22)16-23(26)24-21-12-8-11-20(15-21)18-29(27,28)17-19-9-4-2-5-10-19/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyCNJKAPDVXPCMEJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.88
Rot. Bonds8

About N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide

N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide (PubChem CID 86962162) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
PubChem CID86962162
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-25(22-13-6-3-7-14-22)16-23(26)24-21-12-8-11-20(15-21)18-29(27,28)17-19-9-4-2-5-10-19/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyCNJKAPDVXPCMEJ-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
3-amino-N-[3-(benzylsulfonylmethyl)phenyl]-2-methylbutanamide
CID 120501173
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
1-[3-(benzylsulfonylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962649
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[[3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]phenyl]methylsulfanyl]acetic acid
CID 119240518

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide?
The IUPAC name of N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide (CID 86962162) is N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide is CN(CC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide?
The InChIKey is CNJKAPDVXPCMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-25(22-13-6-3-7-14-22)16-23(26)24-21-12-8-11-20(15-21)18-29(27,28)17-19-9-4-2-5-10-19/h2-15H,16-18H2,1H3,(H,24,26).
What are the key properties of N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide?
N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide has a molecular weight of 408.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide is sourced from PubChem (CID 86962162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).