2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

C24H31N3O4S — CID 110828071

IUPAC2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4S/c28-24(21-8-10-22(11-9-21)32(29,30)27-12-4-5-13-27)19-25-18-23(20-6-2-1-3-7-20)26-14-16-31-17-15-26/h1-3,6-11,23,25H,4-5,12-19H2
InChIKeyZEDUGMJFHJXCLD-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.32
Rot. Bonds9

About 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110828071) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
PubChem CID110828071
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4S/c28-24(21-8-10-22(11-9-21)32(29,30)27-12-4-5-13-27)19-25-18-23(20-6-2-1-3-7-20)26-14-16-31-17-15-26/h1-3,6-11,23,25H,4-5,12-19H2
InChIKeyZEDUGMJFHJXCLD-UHFFFAOYSA-N
XLogP2.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828098
N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
CID 110827935
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829599
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110827798
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone (CID 110828071) is 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is O=C(CNCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is ZEDUGMJFHJXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c28-24(21-8-10-22(11-9-21)32(29,30)27-12-4-5-13-27)19-25-18-23(20-6-2-1-3-7-20)26-14-16-31-17-15-26/h1-3,6-11,23,25H,4-5,12-19H2.
What are the key properties of 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone?
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 457.60 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).