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

C22H27N3O5S2 — CID 4062389

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C22H27N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24,26)
InChIKeyPHBUITZOKFNHCJ-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.38
Rot. Bonds10

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

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 4062389) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID4062389
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C22H27N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24,26)
InChIKeyPHBUITZOKFNHCJ-UHFFFAOYSA-N
XLogP4.38
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833
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
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (CID 4062389) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is PHBUITZOKFNHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24,26).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 477.61 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4062389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).