4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

C23H27N3O3S3 — CID 16831383

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1
InChIInChI=1S/C23H27N3O3S3/c1-3-26(17-7-5-4-6-8-17)32(28,29)19-12-9-16(10-13-19)22(27)25-23-24-20-14-11-18(30-2)15-21(20)31-23/h9-15,17H,3-8H2,1-2H3,(H,24,25,27)
InChIKeyFILXVCIYWSRPRA-UHFFFAOYSA-N
MW489.69 g/mol
LogP5.61
Rot. Bonds7

About 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16831383) has the molecular formula C23H27N3O3S3 and a molecular weight of 489.69 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16831383
Molecular FormulaC23H27N3O3S3
Molecular Weight489.69 g/mol
Exact Mass489.12
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1
InChIInChI=1S/C23H27N3O3S3/c1-3-26(17-7-5-4-6-8-17)32(28,29)19-12-9-16(10-13-19)22(27)25-23-24-20-14-11-18(30-2)15-21(20)31-23/h9-15,17H,3-8H2,1-2H3,(H,24,25,27)
InChIKeyFILXVCIYWSRPRA-UHFFFAOYSA-N
XLogP5.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.69
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831376
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831380
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 18584056
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581
4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41364346
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 16831528
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (CID 16831383) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FILXVCIYWSRPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S3/c1-3-26(17-7-5-4-6-8-17)32(28,29)19-12-9-16(10-13-19)22(27)25-23-24-20-14-11-18(30-2)15-21(20)31-23/h9-15,17H,3-8H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 489.69 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16831383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).