3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

C21H21N3O5S2 — CID 1290059

IUPAC3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C21H21N3O5S2/c1-28-17-4-2-3-16(13-17)20(25)23-21-22-19(14-30-21)15-5-7-18(8-6-15)31(26,27)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,23,25)
InChIKeyCAWINCZXAIGQHE-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.09
Rot. Bonds6

About 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1290059) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1290059
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC Name3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C21H21N3O5S2/c1-28-17-4-2-3-16(13-17)20(25)23-21-22-19(14-30-21)15-5-7-18(8-6-15)31(26,27)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,23,25)
InChIKeyCAWINCZXAIGQHE-UHFFFAOYSA-N
XLogP3.09
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (CID 1290059) is 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1.
What is the InChIKey of 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CAWINCZXAIGQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-28-17-4-2-3-16(13-17)20(25)23-21-22-19(14-30-21)15-5-7-18(8-6-15)31(26,27)24-9-11-29-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,23,25).
What are the key properties of 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1290059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).