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

C16H23N3O4S — CID 110810039

IUPACN-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
SMILESCCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-2-24(22,23)19-10-6-9-18(11-12-19)15(20)13-17-16(21)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,17,21)
InChIKeyRXCAUKLIRSPERD-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.30
Rot. Bonds5

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

N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide (PubChem CID 110810039) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
PubChem CID110810039
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
SMILESCCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-2-24(22,23)19-10-6-9-18(11-12-19)15(20)13-17-16(21)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,17,21)
InChIKeyRXCAUKLIRSPERD-UHFFFAOYSA-N
XLogP0.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 110810200
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-oxo-2-[4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 108544985
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 24552239

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide (CID 110810039) is N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide is CCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The InChIKey is RXCAUKLIRSPERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-2-24(22,23)19-10-6-9-18(11-12-19)15(20)13-17-16(21)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110810039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).