N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide

C18H20N2O4S — CID 46437314

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(23,24)13-15-8-5-9-16(10-15)18(22)20-12-17(21)19-11-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCBKIOBSXTNLMBO-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.28
Rot. Bonds7

About N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 46437314) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID46437314
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(23,24)13-15-8-5-9-16(10-15)18(22)20-12-17(21)19-11-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCBKIOBSXTNLMBO-UHFFFAOYSA-N
XLogP1.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749316
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N-[(2,4-dimethylphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 52571231
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
(2-benzamido-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836877

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide (CID 46437314) is N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is CBKIOBSXTNLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(23,24)13-15-8-5-9-16(10-15)18(22)20-12-17(21)19-11-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 46437314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).