N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide

C18H18N2O4S2 — CID 55765139

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1
InChIInChI=1S/C18H18N2O4S2/c1-3-9-24-13-6-4-5-12(10-13)17(21)20-18-19-15-8-7-14(26(2,22)23)11-16(15)25-18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21)
InChIKeyIDMKZMXJGOBKQT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.74
Rot. Bonds6

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide (PubChem CID 55765139) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
PubChem CID55765139
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1
InChIInChI=1S/C18H18N2O4S2/c1-3-9-24-13-6-4-5-12(10-13)17(21)20-18-19-15-8-7-14(26(2,22)23)11-16(15)25-18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21)
InChIKeyIDMKZMXJGOBKQT-UHFFFAOYSA-N
XLogP3.74
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide 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

3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19174332
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
3-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenoxymethyl)benzene-1,3-dicarboxamide
CID 142785249
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
CID 3390334

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide (CID 55765139) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide?
The InChIKey is IDMKZMXJGOBKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-3-9-24-13-6-4-5-12(10-13)17(21)20-18-19-15-8-7-14(26(2,22)23)11-16(15)25-18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide is sourced from PubChem (CID 55765139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).