2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C16H24ClN3O4S — CID 50944624

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24ClN3O4S/c1-13(16(21)18-7-8-19-9-11-24-12-10-19)20(25(2,22)23)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyFEZPXNOEXXLPJA-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.94
Rot. Bonds7

About 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 50944624) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID50944624
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24ClN3O4S/c1-13(16(21)18-7-8-19-9-11-24-12-10-19)20(25(2,22)23)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyFEZPXNOEXXLPJA-UHFFFAOYSA-N
XLogP0.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 132659439
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 126415319
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide
CID 132670674
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 133149539
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190493
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118431
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118430

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 50944624) is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is CC(C(=O)NCCN1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FEZPXNOEXXLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-13(16(21)18-7-8-19-9-11-24-12-10-19)20(25(2,22)23)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 389.91 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 50944624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).