N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide

C16H23N3O4S — CID 7601424

IUPACN-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-3-19(4-2)24(22,23)14-8-6-13(7-9-14)16(21)17-12-15(20)18-10-5-11-18/h6-9H,3-5,10-12H2,1-2H3,(H,17,21)
InChIKeyWAFCSYVQRVDUGD-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.68
Rot. Bonds7

About N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide

N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 7601424) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID7601424
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-3-19(4-2)24(22,23)14-8-6-13(7-9-14)16(21)17-12-15(20)18-10-5-11-18/h6-9H,3-5,10-12H2,1-2H3,(H,17,21)
InChIKeyWAFCSYVQRVDUGD-UHFFFAOYSA-N
XLogP0.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 119414247
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991821
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide (CID 7601424) is N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC2)cc1.
What is the InChIKey of N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is WAFCSYVQRVDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-19(4-2)24(22,23)14-8-6-13(7-9-14)16(21)17-12-15(20)18-10-5-11-18/h6-9H,3-5,10-12H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 7601424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).