2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide

C22H23N3O6S2 — CID 27845372

IUPAC2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-29-16-5-3-15(4-6-16)19-14-32-22(23-19)24-21(26)18-13-17(7-8-20(18)30-2)33(27,28)25-9-11-31-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyCCEVPBPNCIZHIZ-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.10
Rot. Bonds7

About 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide

2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 27845372) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID27845372
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-29-16-5-3-15(4-6-16)19-14-32-22(23-19)24-21(26)18-13-17(7-8-20(18)30-2)33(27,28)25-9-11-31-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyCCEVPBPNCIZHIZ-UHFFFAOYSA-N
XLogP3.10
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2854838
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
N-[(2R)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 94003862
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848719
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide (CID 27845372) is 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CCEVPBPNCIZHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-29-16-5-3-15(4-6-16)19-14-32-22(23-19)24-21(26)18-13-17(7-8-20(18)30-2)33(27,28)25-9-11-31-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26).
What are the key properties of 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 489.58 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 27845372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).