N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C23H29FN2O4S — CID 146131889

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2cccc(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C23H29FN2O4S/c1-17(2)31(28,29)21-8-6-18(7-9-21)14-23(27)25-16-22(26-10-12-30-13-11-26)19-4-3-5-20(24)15-19/h3-9,15,17,22H,10-14,16H2,1-2H3,(H,25,27)
InChIKeyRLUXTJBOROTDOP-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 146131889) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID146131889
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2cccc(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C23H29FN2O4S/c1-17(2)31(28,29)21-8-6-18(7-9-21)14-23(27)25-16-22(26-10-12-30-13-11-26)19-4-3-5-20(24)15-19/h3-9,15,17,22H,10-14,16H2,1-2H3,(H,25,27)
InChIKeyRLUXTJBOROTDOP-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 146131889) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCC(c2cccc(F)c2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is RLUXTJBOROTDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-17(2)31(28,29)21-8-6-18(7-9-21)14-23(27)25-16-22(26-10-12-30-13-11-26)19-4-3-5-20(24)15-19/h3-9,15,17,22H,10-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 448.56 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 146131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).