4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

C21H25N3O3S2 — CID 3518335

IUPAC4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C21H25N3O3S2/c1-4-12-24(13-5-2)29(26,27)18-9-6-16(7-10-18)21(25)23-17-8-11-20-19(14-17)22-15(3)28-20/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYHEOFOREFRNDPY-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.67
Rot. Bonds8

About 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 3518335) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID3518335
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC Name4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C21H25N3O3S2/c1-4-12-24(13-5-2)29(26,27)18-9-6-16(7-10-18)21(25)23-17-8-11-20-19(14-17)22-15(3)28-20/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYHEOFOREFRNDPY-UHFFFAOYSA-N
XLogP4.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 3518335) is 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is YHEOFOREFRNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-4-12-24(13-5-2)29(26,27)18-9-6-16(7-10-18)21(25)23-17-8-11-20-19(14-17)22-15(3)28-20/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide has a molecular weight of 431.58 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 3518335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).