3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide

C20H27N3O3S2 — CID 60571694

IUPAC3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCCC3)c1
InChIInChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)16-11-9-10-15(14-16)19(24)22-20-21-17-12-7-5-6-8-13-18(17)27-20/h9-11,14H,3-8,12-13H2,1-2H3,(H,21,22,24)
InChIKeyFYPSZVNHEYTALU-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.08
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide

3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 60571694) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
PubChem CID60571694
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCCC3)c1
InChIInChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)16-11-9-10-15(14-16)19(24)22-20-21-17-12-7-5-6-8-13-18(17)27-20/h9-11,14H,3-8,12-13H2,1-2H3,(H,21,22,24)
InChIKeyFYPSZVNHEYTALU-UHFFFAOYSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2595039
5-(diethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46560722
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 9438598
3-ethylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7578763
3-(cyclopropylsulfamoyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 33039939
3-(benzenesulfonamido)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 7541935
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2492615
4-[methyl(phenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16605132
3-ethylsulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43981130
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide (CID 60571694) is 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCCC3)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is FYPSZVNHEYTALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)16-11-9-10-15(14-16)19(24)22-20-21-17-12-7-5-6-8-13-18(17)27-20/h9-11,14H,3-8,12-13H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 421.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 60571694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).