2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C22H27FN2O5S — CID 55813489

IUPAC2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27FN2O5S/c1-16(31(27,28)20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-30-14-12-25)17-3-7-19(29-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)
InChIKeyVYZDPWMONXSGGK-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.19
Rot. Bonds8

About 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55813489) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55813489
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27FN2O5S/c1-16(31(27,28)20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-30-14-12-25)17-3-7-19(29-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)
InChIKeyVYZDPWMONXSGGK-UHFFFAOYSA-N
XLogP2.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 25163879
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 55813489) is 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is VYZDPWMONXSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-16(31(27,28)20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-30-14-12-25)17-3-7-19(29-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 450.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).