N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C19H19N3O5S2 — CID 2425146

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1
InChIInChI=1S/C19H19N3O5S2/c1-26-14-5-6-16-17(12-14)28-19(20-16)21-18(23)13-3-2-4-15(11-13)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,21,23)
InChIKeyGRPFFRUWJFDTTI-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.58
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2425146) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2425146
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1
InChIInChI=1S/C19H19N3O5S2/c1-26-14-5-6-16-17(12-14)28-19(20-16)21-18(23)13-3-2-4-15(11-13)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,21,23)
InChIKeyGRPFFRUWJFDTTI-UHFFFAOYSA-N
XLogP2.58
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
4-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 980159
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
Ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate
CID 4262324
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
CID 9551081
N-(4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 16002341
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 2425146) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GRPFFRUWJFDTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-26-14-5-6-16-17(12-14)28-19(20-16)21-18(23)13-3-2-4-15(11-13)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 433.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2425146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).