2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H28N4O5S — CID 55684091

IUPAC2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H28N4O5S/c1-14(2)25-31(28,29)19-10-8-16(9-11-19)24-21(27)15(3)23-17-6-5-7-18(12-17)30-13-20(26)22-4/h5-12,14-15,23,25H,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyOYEUKKPCDGDWEL-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.94
Rot. Bonds10

About 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55684091) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55684091
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H28N4O5S/c1-14(2)25-31(28,29)19-10-8-16(9-11-19)24-21(27)15(3)23-17-6-5-7-18(12-17)30-13-20(26)22-4/h5-12,14-15,23,25H,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyOYEUKKPCDGDWEL-UHFFFAOYSA-N
XLogP1.94
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17105980
2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
CID 18870118
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55684091) is 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CNC(=O)COc1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is OYEUKKPCDGDWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-14(2)25-31(28,29)19-10-8-16(9-11-19)24-21(27)15(3)23-17-6-5-7-18(12-17)30-13-20(26)22-4/h5-12,14-15,23,25H,13H2,1-4H3,(H,22,26)(H,24,27).
What are the key properties of 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 448.55 g/mol, XLogP of 1.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).