2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

C21H25ClFN3O4S — CID 42905428

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClFN3O4S/c1-25(31(28,29)19-8-4-17(22)5-9-19)15-21(27)24-14-20(26-10-12-30-13-11-26)16-2-6-18(23)7-3-16/h2-9,20H,10-15H2,1H3,(H,24,27)
InChIKeyNYLVWTFFYQFKAW-UHFFFAOYSA-N
MW469.97 g/mol
LogP2.29
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 42905428) has the molecular formula C21H25ClFN3O4S and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID42905428
Molecular FormulaC21H25ClFN3O4S
Molecular Weight469.97 g/mol
Exact Mass469.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClFN3O4S/c1-25(31(28,29)19-8-4-17(22)5-9-19)15-21(27)24-14-20(26-10-12-30-13-11-26)16-2-6-18(23)7-3-16/h2-9,20H,10-15H2,1H3,(H,24,27)
InChIKeyNYLVWTFFYQFKAW-UHFFFAOYSA-N
XLogP2.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 55369853
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 98404336
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (CID 42905428) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is CN(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is NYLVWTFFYQFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O4S/c1-25(31(28,29)19-8-4-17(22)5-9-19)15-21(27)24-14-20(26-10-12-30-13-11-26)16-2-6-18(23)7-3-16/h2-9,20H,10-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 469.97 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 42905428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).