N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide

C21H25N3O4S2 — CID 3390334

IUPACN-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3s2)c1
InChIInChI=1S/C21H25N3O4S2/c1-13(2)24(14(3)4)30(26,27)17-9-10-18-19(12-17)29-21(22-18)23-20(25)15-7-6-8-16(11-15)28-5/h6-14H,1-5H3,(H,22,23,25)
InChIKeyUJQJSKNUBLNYLW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.36
Rot. Bonds7

About N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide

N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide (PubChem CID 3390334) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
PubChem CID3390334
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC NameN-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3s2)c1
InChIInChI=1S/C21H25N3O4S2/c1-13(2)24(14(3)4)30(26,27)17-9-10-18-19(12-17)29-21(22-18)23-20(25)15-7-6-8-16(11-15)28-5/h6-14H,1-5H3,(H,22,23,25)
InChIKeyUJQJSKNUBLNYLW-UHFFFAOYSA-N
XLogP4.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide 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-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4102491
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4120437

Frequently Asked Questions

What is the IUPAC name of N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide (CID 3390334) is N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3s2)c1.
What is the InChIKey of N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide?
The InChIKey is UJQJSKNUBLNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-13(2)24(14(3)4)30(26,27)17-9-10-18-19(12-17)29-21(22-18)23-20(25)15-7-6-8-16(11-15)28-5/h6-14H,1-5H3,(H,22,23,25).
What are the key properties of N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide?
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide has a molecular weight of 447.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 3390334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).