4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C23H29N3O3S2 — CID 4284456

IUPAC4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C23H29N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h8-11,14-15H,6-7,12-13H2,1-5H3/b24-23-
InChIKeyWTBNUUDVBDUEBT-VHXPQNKSSA-N
MW459.64 g/mol
LogP4.41
Rot. Bonds7

About 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4284456) has the molecular formula C23H29N3O3S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4284456
Molecular FormulaC23H29N3O3S2
Molecular Weight459.64 g/mol
Exact Mass459.17
IUPAC Name4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C23H29N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h8-11,14-15H,6-7,12-13H2,1-5H3/b24-23-
InChIKeyWTBNUUDVBDUEBT-VHXPQNKSSA-N
XLogP4.41
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136784
4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 42523056
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
4-[bis(2-methoxyethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43939489
4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886331
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide
CID 4107936
ethyl 2-[2-[4-[bis(prop-2-enyl)sulfamoyl]benzoyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41204180
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
methyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102324
4-[cyclopropyl(methyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41364152
4-[benzyl(ethyl)sulfamoyl]-N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944562

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4284456) is 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is WTBNUUDVBDUEBT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H29N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h8-11,14-15H,6-7,12-13H2,1-5H3/b24-23-.
What are the key properties of 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 459.64 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4284456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).