N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide

C24H31N3O5S2 — CID 4575833

IUPACN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C24H31N3O5S2/c1-5-7-13-27(14-8-6-2)34(29,30)18-10-12-20-22(16-18)33-24(25-20)26-23(28)19-11-9-17(31-3)15-21(19)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,26,28)
InChIKeySBSPDFOGYUJWGZ-UHFFFAOYSA-N
MW505.66 g/mol
LogP5.16
Rot. Bonds12

About N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 4575833) has the molecular formula C24H31N3O5S2 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID4575833
Molecular FormulaC24H31N3O5S2
Molecular Weight505.66 g/mol
Exact Mass505.17
IUPAC NameN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C24H31N3O5S2/c1-5-7-13-27(14-8-6-2)34(29,30)18-10-12-20-22(16-18)33-24(25-20)26-23(28)19-11-9-17(31-3)15-21(19)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,26,28)
InChIKeySBSPDFOGYUJWGZ-UHFFFAOYSA-N
XLogP5.16
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 3399066
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899

Frequently Asked Questions

What is the IUPAC name of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (CID 4575833) is N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is CCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1.
What is the InChIKey of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is SBSPDFOGYUJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S2/c1-5-7-13-27(14-8-6-2)34(29,30)18-10-12-20-22(16-18)33-24(25-20)26-23(28)19-11-9-17(31-3)15-21(19)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,26,28).
What are the key properties of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 505.66 g/mol, XLogP of 5.16, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4575833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).