4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C24H31N3O4S2 — CID 41133439

IUPAC4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(OC)cc3n2CCC)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-14-26(15-6-2)33(29,30)20-11-8-18(9-12-20)23(28)25-24-27(16-7-3)21-17-19(31-4)10-13-22(21)32-24/h8-13,17H,5-7,14-16H2,1-4H3/b25-24-
InChIKeyDQAZRIRVYAFXCN-IZHYLOQSSA-N
MW489.66 g/mol
LogP4.67
Rot. Bonds10

About 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41133439) has the molecular formula C24H31N3O4S2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41133439
Molecular FormulaC24H31N3O4S2
Molecular Weight489.66 g/mol
Exact Mass489.18
IUPAC Name4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(OC)cc3n2CCC)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-14-26(15-6-2)33(29,30)20-11-8-18(9-12-20)23(28)25-24-27(16-7-3)21-17-19(31-4)10-13-22(21)32-24/h8-13,17H,5-7,14-16H2,1-4H3/b25-24-
InChIKeyDQAZRIRVYAFXCN-IZHYLOQSSA-N
XLogP4.67
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dipropylsulfamoyl)benzamide
CID 43979241
4-(diethylsulfamoyl)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134050
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43978372
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 41134150
4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984161
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41364421
ethyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 4620101
methyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102324
4-(dibutylsulfamoyl)-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 43979198
4-methoxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540820
methyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 4131202
4-(dibutylsulfamoyl)-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983805

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41133439) is 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(OC)cc3n2CCC)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is DQAZRIRVYAFXCN-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H31N3O4S2/c1-5-14-26(15-6-2)33(29,30)20-11-8-18(9-12-20)23(28)25-24-27(16-7-3)21-17-19(31-4)10-13-22(21)32-24/h8-13,17H,5-7,14-16H2,1-4H3/b25-24-.
What are the key properties of 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 489.66 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41133439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).