N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide

C24H31N3O5S2 — CID 3622870

IUPACN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3s2)c1OC
InChIInChI=1S/C24H31N3O5S2/c1-15(2)13-27(14-16(3)4)34(29,30)17-10-11-19-21(12-17)33-24(25-19)26-23(28)18-8-7-9-20(31-5)22(18)32-6/h7-12,15-16H,13-14H2,1-6H3,(H,25,26,28)
InChIKeyLPUAAYYLQGSKTQ-UHFFFAOYSA-N
MW505.66 g/mol
LogP4.87
Rot. Bonds10

About N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide

N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide (PubChem CID 3622870) has the molecular formula C24H31N3O5S2 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
PubChem CID3622870
Molecular FormulaC24H31N3O5S2
Molecular Weight505.66 g/mol
Exact Mass505.17
IUPAC NameN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3s2)c1OC
InChIInChI=1S/C24H31N3O5S2/c1-15(2)13-27(14-16(3)4)34(29,30)17-10-11-19-21(12-17)33-24(25-19)26-23(28)18-8-7-9-20(31-5)22(18)32-6/h7-12,15-16H,13-14H2,1-6H3,(H,25,26,28)
InChIKeyLPUAAYYLQGSKTQ-UHFFFAOYSA-N
XLogP4.87
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 3301503
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloroacetamide
CID 3368893
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CID 3310017
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
2,3-dimethoxy-N-[5-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4230985
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833

Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide (CID 3622870) is N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3s2)c1OC.
What is the InChIKey of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide?
The InChIKey is LPUAAYYLQGSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S2/c1-15(2)13-27(14-16(3)4)34(29,30)17-10-11-19-21(12-17)33-24(25-19)26-23(28)18-8-7-9-20(31-5)22(18)32-6/h7-12,15-16H,13-14H2,1-6H3,(H,25,26,28).
What are the key properties of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide?
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide has a molecular weight of 505.66 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 3622870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).