4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C22H27N3O3S2 — CID 43946630

IUPAC4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CC)cc1
InChIInChI=1S/C22H27N3O3S2/c1-6-24(7-2)30(27,28)18-11-9-17(10-12-18)21(26)23-22-25(8-3)20-16(5)13-15(4)14-19(20)29-22/h9-14H,6-8H2,1-5H3/b23-22-
InChIKeyNPWYORWRSDNPGY-FCQUAONHSA-N
MW445.61 g/mol
LogP4.11
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43946630) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43946630
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CC)cc1
InChIInChI=1S/C22H27N3O3S2/c1-6-24(7-2)30(27,28)18-11-9-17(10-12-18)21(26)23-22-25(8-3)20-16(5)13-15(4)14-19(20)29-22/h9-14H,6-8H2,1-5H3/b23-22-
InChIKeyNPWYORWRSDNPGY-FCQUAONHSA-N
XLogP4.11
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4161990
4-(diethylsulfamoyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047893
4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 5112689
4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43938923
4-[bis(2-methylpropyl)sulfamoyl]-N-(4,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944013
methyl 2-[4-(diethylsulfamoyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 2152608
methyl 2-[2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942329
ethyl 2-[4-(diethylsulfamoyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 2152626
methyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942020
4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886331
4-(diethylsulfamoyl)-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41202390
4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 3540195

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43946630) is 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is NPWYORWRSDNPGY-FCQUAONHSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-6-24(7-2)30(27,28)18-11-9-17(10-12-18)21(26)23-22-25(8-3)20-16(5)13-15(4)14-19(20)29-22/h9-14H,6-8H2,1-5H3/b23-22-.
What are the key properties of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 445.61 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43946630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).