N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide

C21H26N2O7S — CID 43876928

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O7S/c1-15(30-18-6-4-5-17(14-18)27-2)21(24)22-16-7-8-19(28-3)20(13-16)31(25,26)23-9-11-29-12-10-23/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)
InChIKeyDALILVSSROKTNF-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.13
Rot. Bonds8

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide (PubChem CID 43876928) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
PubChem CID43876928
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O7S/c1-15(30-18-6-4-5-17(14-18)27-2)21(24)22-16-7-8-19(28-3)20(13-16)31(25,26)23-9-11-29-12-10-23/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)
InChIKeyDALILVSSROKTNF-UHFFFAOYSA-N
XLogP2.13
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352
(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
CID 97070489
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42963448
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
3-(2,5-dimethoxyphenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3403224
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide (CID 43876928) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide is COc1cccc(OC(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide?
The InChIKey is DALILVSSROKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-15(30-18-6-4-5-17(14-18)27-2)21(24)22-16-7-8-19(28-3)20(13-16)31(25,26)23-9-11-29-12-10-23/h4-8,13-15H,9-12H2,1-3H3,(H,22,24).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide has a molecular weight of 450.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 43876928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).