4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C21H23N3O5S2 — CID 100561326

IUPAC4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C21H23N3O5S2/c1-14(2)24-18-8-5-16(13-19(18)30-21(24)26)22-20(25)15-3-6-17(7-4-15)31(27,28)23-9-11-29-12-10-23/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyJNZSVNXHQRIDHR-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.92
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100561326) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID100561326
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC Name4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C21H23N3O5S2/c1-14(2)24-18-8-5-16(13-19(18)30-21(24)26)22-20(25)15-3-6-17(7-4-15)31(27,28)23-9-11-29-12-10-23/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyJNZSVNXHQRIDHR-UHFFFAOYSA-N
XLogP2.92
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100553679
1-(4-methylphenyl)sulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100561216
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
3-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one
CID 27060042
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100550125
6-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one
CID 46384936

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100561326) is 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is JNZSVNXHQRIDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-14(2)24-18-8-5-16(13-19(18)30-21(24)26)22-20(25)15-3-6-17(7-4-15)31(27,28)23-9-11-29-12-10-23/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 461.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100561326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).