N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

C16H24N4O4S — CID 167885694

IUPACN-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C16H24N4O4S/c1-11-5-12(2)7-13(6-11)16(22)17-8-15(21)18-14-9-20(10-14)25(23,24)19(3)4/h5-7,14H,8-10H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyPILAVSJAGPSGAG-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.36
Rot. Bonds6

About N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 167885694) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID167885694
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C16H24N4O4S/c1-11-5-12(2)7-13(6-11)16(22)17-8-15(21)18-14-9-20(10-14)25(23,24)19(3)4/h5-7,14H,8-10H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyPILAVSJAGPSGAG-UHFFFAOYSA-N
XLogP-0.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 43002406
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
3-[methyl(methylsulfonyl)amino]-N-[2-oxo-2-[[1-(4-phenylcyclohexyl)azetidin-3-yl]amino]ethyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[2-oxo-2-[[1-(4-phenylcyclohexyl)azetidin-3-yl]amino]ethyl]-5-(trifluoromethyl)benzamide
CID 90868027
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 99700393
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 167885694) is N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1.
What is the InChIKey of N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is PILAVSJAGPSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11-5-12(2)7-13(6-11)16(22)17-8-15(21)18-14-9-20(10-14)25(23,24)19(3)4/h5-7,14H,8-10H2,1-4H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 368.46 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 167885694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).