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

C21H21N3O5S2 — CID 980159

IUPAC4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-28-17-6-2-16(3-7-17)20(25)23-21-22-19(14-30-21)15-4-8-18(9-5-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKeyDOIWLHAIMDZKAB-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.09
Rot. Bonds6

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

4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 980159) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID980159
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC Name4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-28-17-6-2-16(3-7-17)20(25)23-21-22-19(14-30-21)15-4-8-18(9-5-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKeyDOIWLHAIMDZKAB-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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Related Compounds

ML277
CID 53347902
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
CID 2374706
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4162891
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (CID 980159) is 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DOIWLHAIMDZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-28-17-6-2-16(3-7-17)20(25)23-21-22-19(14-30-21)15-4-8-18(9-5-15)31(26,27)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25).
What are the key properties of 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
4-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 4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 980159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).