2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide

C23H25N3O6S2 — CID 2948660

IUPAC2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C23H25N3O6S2/c1-16(32-21-6-4-3-5-20(21)30-2)22(27)25-23-24-19(15-33-23)17-7-9-18(10-8-17)34(28,29)26-11-13-31-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,27)
InChIKeyWNUQKYGJFCRVFN-UHFFFAOYSA-N
MW503.60 g/mol
LogP3.25
Rot. Bonds8

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

2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2948660) has the molecular formula C23H25N3O6S2 and a molecular weight of 503.60 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID2948660
Molecular FormulaC23H25N3O6S2
Molecular Weight503.60 g/mol
Exact Mass503.12
IUPAC Name2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C23H25N3O6S2/c1-16(32-21-6-4-3-5-20(21)30-2)22(27)25-23-24-19(15-33-23)17-7-9-18(10-8-17)34(28,29)26-11-13-31-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,27)
InChIKeyWNUQKYGJFCRVFN-UHFFFAOYSA-N
XLogP3.25
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide (CID 2948660) is 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccccc1OC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WNUQKYGJFCRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S2/c1-16(32-21-6-4-3-5-20(21)30-2)22(27)25-23-24-19(15-33-23)17-7-9-18(10-8-17)34(28,29)26-11-13-31-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 503.60 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2948660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).