4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C25H31N3O3S2 — CID 42523056

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C25H31N3O3S2/c1-5-28(20-9-7-6-8-10-20)33(30,31)21-13-11-19(12-14-21)24(29)26-25-27(4)22-16-17(2)15-18(3)23(22)32-25/h11-16,20H,5-10H2,1-4H3/b26-25-
InChIKeyRJJCPVQPTOXBRS-QPLCGJKRSA-N
MW485.68 g/mol
LogP4.94
Rot. Bonds5

About 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 42523056) has the molecular formula C25H31N3O3S2 and a molecular weight of 485.68 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID42523056
Molecular FormulaC25H31N3O3S2
Molecular Weight485.68 g/mol
Exact Mass485.18
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C25H31N3O3S2/c1-5-28(20-9-7-6-8-10-20)33(30,31)21-13-11-19(12-14-21)24(29)26-25-27(4)22-16-17(2)15-18(3)23(22)32-25/h11-16,20H,5-10H2,1-4H3/b26-25-
InChIKeyRJJCPVQPTOXBRS-QPLCGJKRSA-N
XLogP4.94
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.68
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4284456
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
4-[cyclopropyl(methyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41364152
4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886331
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5078156
4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136784
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885515
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612904
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947397

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 42523056) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is RJJCPVQPTOXBRS-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H31N3O3S2/c1-5-28(20-9-7-6-8-10-20)33(30,31)21-13-11-19(12-14-21)24(29)26-25-27(4)22-16-17(2)15-18(3)23(22)32-25/h11-16,20H,5-10H2,1-4H3/b26-25-.
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 485.68 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 42523056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).