2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

C24H30ClN3O5S — CID 110829599

IUPAC2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1Cl)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H30ClN3O5S/c25-22-7-2-1-6-21(22)23(27-8-12-32-13-9-27)17-26-18-24(29)19-4-3-5-20(16-19)34(30,31)28-10-14-33-15-11-28/h1-7,16,23,26H,8-15,17-18H2
InChIKeyNEJXYHDJCWVCHT-UHFFFAOYSA-N
MW508.04 g/mol
LogP2.21
Rot. Bonds9

About 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110829599) has the molecular formula C24H30ClN3O5S and a molecular weight of 508.04 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110829599
Molecular FormulaC24H30ClN3O5S
Molecular Weight508.04 g/mol
Exact Mass507.16
IUPAC Name2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1Cl)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H30ClN3O5S/c25-22-7-2-1-6-21(22)23(27-8-12-32-13-9-27)17-26-18-24(29)19-4-3-5-20(16-19)34(30,31)28-10-14-33-15-11-28/h1-7,16,23,26H,8-15,17-18H2
InChIKeyNEJXYHDJCWVCHT-UHFFFAOYSA-N
XLogP2.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.04
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829463
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829462
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829053
2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829317
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829873
2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (CID 110829599) is 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is O=C(CNCC(c1ccccc1Cl)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is NEJXYHDJCWVCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O5S/c25-22-7-2-1-6-21(22)23(27-8-12-32-13-9-27)17-26-18-24(29)19-4-3-5-20(16-19)34(30,31)28-10-14-33-15-11-28/h1-7,16,23,26H,8-15,17-18H2.
What are the key properties of 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 508.04 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110829599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).