N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide

C19H19N3O4S2 — CID 4616787

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2s1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-17-12-15(4-7-18(17)27-13)21-19(23)14-2-5-16(6-3-14)28(24,25)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)
InChIKeyJUOALNGSAHNDLO-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.88
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 4616787) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID4616787
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2s1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-17-12-15(4-7-18(17)27-13)21-19(23)14-2-5-16(6-3-14)28(24,25)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)
InChIKeyJUOALNGSAHNDLO-UHFFFAOYSA-N
XLogP2.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100561326
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 5003139
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 4616787) is N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JUOALNGSAHNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-20-17-12-15(4-7-18(17)27-13)21-19(23)14-2-5-16(6-3-14)28(24,25)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4616787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).