3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C17H21N3O4S2 — CID 4840693

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)s1
InChIInChI=1S/C17H21N3O4S2/c1-11-9-20(10-12(2)24-11)26(22,23)15-6-4-5-14(7-15)16(21)19-17-18-8-13(3)25-17/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,21)
InChIKeyQYEKUAKGOAYUDR-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.50
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4840693) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID4840693
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)s1
InChIInChI=1S/C17H21N3O4S2/c1-11-9-20(10-12(2)24-11)26(22,23)15-6-4-5-14(7-15)16(21)19-17-18-8-13(3)25-17/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,21)
InChIKeyQYEKUAKGOAYUDR-UHFFFAOYSA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
3-methyl-N-[5-(4-morpholinylmethyl)-1,3-thiazol-2-yl]benzamide
CID 1252103
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
CID 1101752
4-(piperidin-1-ylsulfonyl)-N-(thiazol-2-yl)benzamide
CID 1158565
3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2115997
4-(morpholinosulfonyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 3235655
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 3244619
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 4549129
3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1102157
4-Bromo-3-(morpholine-4-sulfonyl)-N-thiazol-2-yl-benzamide
CID 1107088
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(thiazol-2-yl)benzamide
CID 16195004

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 4840693) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)s1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QYEKUAKGOAYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-11-9-20(10-12(2)24-11)26(22,23)15-6-4-5-14(7-15)16(21)19-17-18-8-13(3)25-17/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,21).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 395.51 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4840693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).