4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide

C22H27N3O3S2 — CID 41235533

IUPAC4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1
InChIInChI=1S/C22H27N3O3S2/c1-6-25(7-2)30(27,28)18-11-8-16(9-12-18)21(26)23-22-24(5)19-13-10-17(15(3)4)14-20(19)29-22/h8-15H,6-7H2,1-5H3/b23-22-
InChIKeyJJOAKYMCPJEABR-FCQUAONHSA-N
MW445.61 g/mol
LogP4.13
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide

4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41235533) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41235533
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1
InChIInChI=1S/C22H27N3O3S2/c1-6-25(7-2)30(27,28)18-11-8-16(9-12-18)21(26)23-22-24(5)19-13-10-17(15(3)4)14-20(19)29-22/h8-15H,6-7H2,1-5H3/b23-22-
InChIKeyJJOAKYMCPJEABR-FCQUAONHSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235714
N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 2159241
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40997299
4-(diethylsulfamoyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985079
4-[bis(2-methylpropyl)sulfamoyl]-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979716
ethyl 4-[4-[(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43946914
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40996818
methyl 2-[4-(diethylsulfamoyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 2152608
4-(diethylsulfamoyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047893
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235646
4-[bis(2-methylpropyl)sulfamoyl]-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 41235613
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4231281

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide (CID 41235533) is 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JJOAKYMCPJEABR-FCQUAONHSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-6-25(7-2)30(27,28)18-11-8-16(9-12-18)21(26)23-22-24(5)19-13-10-17(15(3)4)14-20(19)29-22/h8-15H,6-7H2,1-5H3/b23-22-.
What are the key properties of 4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 445.61 g/mol, XLogP of 4.13, 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-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41235533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).