N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide

C16H23N3O5S — CID 70768216

IUPACN-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N2CCC(=O)N(C)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18-10-11-19(9-7-15(18)20)25(22,23)14-5-3-13(4-6-14)16(21)17-8-12-24-2/h3-6H,7-12H2,1-2H3,(H,17,21)
InChIKeyGISCXTRYTNLCSP-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.08
Rot. Bonds6

About N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide

N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide (PubChem CID 70768216) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide
PubChem CID70768216
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N2CCC(=O)N(C)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18-10-11-19(9-7-15(18)20)25(22,23)14-5-3-13(4-6-14)16(21)17-8-12-24-2/h3-6H,7-12H2,1-2H3,(H,17,21)
InChIKeyGISCXTRYTNLCSP-UHFFFAOYSA-N
XLogP-0.08
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918870
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8677531
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 64682605
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide (CID 70768216) is N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide is COCCNC(=O)c1ccc(S(=O)(=O)N2CCC(=O)N(C)CC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide?
The InChIKey is GISCXTRYTNLCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-18-10-11-19(9-7-15(18)20)25(22,23)14-5-3-13(4-6-14)16(21)17-8-12-24-2/h3-6H,7-12H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide?
N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 70768216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).