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

C23H25N3O4S2 — CID 42993227

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c2ccccc2)n1
InChIInChI=1S/C23H25N3O4S2/c1-16-15-31-23(24-16)26(20-9-5-4-6-10-20)22(27)19-8-7-11-21(12-19)32(28,29)25-13-17(2)30-18(3)14-25/h4-12,15,17-18H,13-14H2,1-3H3
InChIKeyRIQHNIDDSGTYMR-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.23
Rot. Bonds5

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

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (PubChem CID 42993227) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
PubChem CID42993227
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c2ccccc2)n1
InChIInChI=1S/C23H25N3O4S2/c1-16-15-31-23(24-16)26(20-9-5-4-6-10-20)22(27)19-8-7-11-21(12-19)32(28,29)25-13-17(2)30-18(3)14-25/h4-12,15,17-18H,13-14H2,1-3H3
InChIKeyRIQHNIDDSGTYMR-UHFFFAOYSA-N
XLogP4.23
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 134054858
(2-methyl-1,3-thiazol-4-yl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 4885543
N-[bis[4-(dimethylamino)phenyl]methylidene]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4097765
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42905156
N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46635657
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 5061561
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
CID 60596722
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (CID 42993227) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c2ccccc2)n1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The InChIKey is RIQHNIDDSGTYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-15-31-23(24-16)26(20-9-5-4-6-10-20)22(27)19-8-7-11-21(12-19)32(28,29)25-13-17(2)30-18(3)14-25/h4-12,15,17-18H,13-14H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 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-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 42993227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).