2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H24N2O5S — CID 2983188

IUPAC2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-3-7-18(8-4-15)27-16(2)20(23)21-17-5-9-19(10-6-17)28(24,25)22-11-13-26-14-12-22/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyCEOXXDBWDDBFOO-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.42
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2983188) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2983188
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-3-7-18(8-4-15)27-16(2)20(23)21-17-5-9-19(10-6-17)28(24,25)22-11-13-26-14-12-22/h3-10,16H,11-14H2,1-2H3,(H,21,23)
InChIKeyCEOXXDBWDDBFOO-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2983188) is 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is CEOXXDBWDDBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-3-7-18(8-4-15)27-16(2)20(23)21-17-5-9-19(10-6-17)28(24,25)22-11-13-26-14-12-22/h3-10,16H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 404.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2983188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).