3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide

C18H27N3O4S — CID 55768153

IUPAC3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-4-19-17(23)18(11-6-5-7-12-18)20-16(22)14-9-8-10-15(13-14)26(24,25)21(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeySXMJVULQFVPURU-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.51
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide

3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide (PubChem CID 55768153) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
PubChem CID55768153
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-4-19-17(23)18(11-6-5-7-12-18)20-16(22)14-9-8-10-15(13-14)26(24,25)21(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeySXMJVULQFVPURU-UHFFFAOYSA-N
XLogP1.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[3-(dimethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969208
N-[1-(ethylcarbamoyl)cyclohexyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55968811
N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55968305
[4-[[1-(ethylcarbamoyl)cyclohexyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 55967538
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55572752
3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
CID 51107951
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide (CID 55768153) is 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide is CCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is SXMJVULQFVPURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-4-19-17(23)18(11-6-5-7-12-18)20-16(22)14-9-8-10-15(13-14)26(24,25)21(2)3/h8-10,13H,4-7,11-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 381.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 55768153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).