4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide

C19H28N2O5S2 — CID 55565647

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H28N2O5S2/c1-21(17-5-3-2-4-6-17)28(25,26)18-9-7-16(8-10-18)19(22)20-13-15-11-12-27(23,24)14-15/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyYVZQBFSQZVCHJM-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.80
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide (PubChem CID 55565647) has the molecular formula C19H28N2O5S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
PubChem CID55565647
Molecular FormulaC19H28N2O5S2
Molecular Weight428.58 g/mol
Exact Mass428.14
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H28N2O5S2/c1-21(17-5-3-2-4-6-17)28(25,26)18-9-7-16(8-10-18)19(22)20-13-15-11-12-27(23,24)14-15/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyYVZQBFSQZVCHJM-UHFFFAOYSA-N
XLogP1.80
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide with MolForge

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Related Compounds

N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide
CID 55572849
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
4-acetyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 3738114
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
6-(dimethylamino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyridine-3-carboxamide
CID 94093510
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide (CID 55565647) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The InChIKey is YVZQBFSQZVCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S2/c1-21(17-5-3-2-4-6-17)28(25,26)18-9-7-16(8-10-18)19(22)20-13-15-11-12-27(23,24)14-15/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide is sourced from PubChem (CID 55565647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).