N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide

C18H28N4O4S — CID 119414247

IUPACN-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCNCC2)c1
InChIInChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-8-5-7-15(13-16)18(24)20-14-17(23)21-11-6-9-19-10-12-21/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,20,24)
InChIKeyZENDKYCDRMIGKK-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.27
Rot. Bonds7

About N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide

N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 119414247) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
PubChem CID119414247
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCNCC2)c1
InChIInChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-8-5-7-15(13-16)18(24)20-14-17(23)21-11-6-9-19-10-12-21/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,20,24)
InChIKeyZENDKYCDRMIGKK-UHFFFAOYSA-N
XLogP0.27
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-diazepane-1-carbonyl)-N,N-diethylbenzenesulfonamide;hydrochloride
CID 119416501
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
CID 98212713
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
CID 96501882
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide (CID 119414247) is N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCNCC2)c1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is ZENDKYCDRMIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-3-22(4-2)27(25,26)16-8-5-7-15(13-16)18(24)20-14-17(23)21-11-6-9-19-10-12-21/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 119414247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).