N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C22H26FN3O5S — CID 43900424

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5S/c1-16(17-3-7-19(23)8-4-17)24-21(27)15-26(32(2,29)30)20-9-5-18(6-10-20)22(28)25-11-13-31-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyUOYBIVYIAQHCBC-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.94
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 43900424) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID43900424
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5S/c1-16(17-3-7-19(23)8-4-17)24-21(27)15-26(32(2,29)30)20-9-5-18(6-10-20)22(28)25-11-13-31-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyUOYBIVYIAQHCBC-UHFFFAOYSA-N
XLogP1.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901463
N-[1-(4-ethoxyphenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900404
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900504
N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
N-[1-(4-methylphenoxy)propan-2-yl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901364
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901047
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30274560
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 43900424) is N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is UOYBIVYIAQHCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-16(17-3-7-19(23)8-4-17)24-21(27)15-26(32(2,29)30)20-9-5-18(6-10-20)22(28)25-11-13-31-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 463.53 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 43900424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).