3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C21H26N2O5S — CID 27861911

IUPAC3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCc1ccccc1OCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-17-4-2-3-5-20(17)28-13-10-21(24)22-16-18-6-8-19(9-7-18)29(25,26)23-11-14-27-15-12-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyYIYGJIASLGOANT-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.10
Rot. Bonds8

About 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 27861911) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID27861911
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCc1ccccc1OCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-17-4-2-3-5-20(17)28-13-10-21(24)22-16-18-6-8-19(9-7-18)29(25,26)23-11-14-27-15-12-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyYIYGJIASLGOANT-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 17474569
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875007
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875105
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28562495

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 27861911) is 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is Cc1ccccc1OCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is YIYGJIASLGOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-17-4-2-3-5-20(17)28-13-10-21(24)22-16-18-6-8-19(9-7-18)29(25,26)23-11-14-27-15-12-23/h2-9H,10-16H2,1H3,(H,22,24).
What are the key properties of 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 27861911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).