N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide

C18H19N3O5S2 — CID 2159327

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)12-7-5-11(6-8-12)17(22)20-18-19-15-13(25-3)9-10-14(26-4)16(15)27-18/h5-10H,1-4H3,(H,19,20,22)
InChIKeyCETAWUIIIKZGLB-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.82
Rot. Bonds6

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2159327) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2159327
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)12-7-5-11(6-8-12)17(22)20-18-19-15-13(25-3)9-10-14(26-4)16(15)27-18/h5-10H,1-4H3,(H,19,20,22)
InChIKeyCETAWUIIIKZGLB-UHFFFAOYSA-N
XLogP2.82
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
N-(4-ethoxybenzo[d]thiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 3543750
N-(4,7-dimethoxybenzo[d]thiazol-2-yl)-3-(phenylthio)propanamide
CID 2150776
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholinylsulfonyl)benzamide
CID 2425146
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide
CID 3415775
N-(3-(dimethylamino)propyl)-4-(N,N-dimethylsulfamoyl)-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)benzamide hydrochloride
CID 16189239
N-(2-(diethylamino)ethyl)-N-(4-ethoxybenzo[d]thiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide hydrochloride
CID 16194957
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-{methyl[(oxolan-2-yl)methyl]sulfamoyl}benzamide hydrochloride
CID 24892417
3-(Benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-YL)-N-[3-(dimethylamino)propyl]propanamide hydrochloride
CID 24892573
N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-((N-methylmethylsulfonamido)methyl)benzamide
CID 49797773
N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(methylsulfonyl)benzamide
CID 49797795
4-Cyano-N-(4-methoxybenzo[d]thiazol-2-yl)benzamide
CID 3563195

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (CID 2159327) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is COc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is CETAWUIIIKZGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)12-7-5-11(6-8-12)17(22)20-18-19-15-13(25-3)9-10-14(26-4)16(15)27-18/h5-10H,1-4H3,(H,19,20,22).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2159327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).