2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

C25H35N3O5S — CID 110829595

IUPAC2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C25H35N3O5S/c1-4-27(5-2)24(20-9-11-22(32-3)12-10-20)18-26-19-25(29)21-7-6-8-23(17-21)34(30,31)28-13-15-33-16-14-28/h6-12,17,24,26H,4-5,13-16,18-19H2,1-3H3
InChIKeyOGHXFUFELZKSEH-UHFFFAOYSA-N
MW489.64 g/mol
LogP2.57
Rot. Bonds12

About 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110829595) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110829595
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C25H35N3O5S/c1-4-27(5-2)24(20-9-11-22(32-3)12-10-20)18-26-19-25(29)21-7-6-8-23(17-21)34(30,31)28-13-15-33-16-14-28/h6-12,17,24,26H,4-5,13-16,18-19H2,1-3H3
InChIKeyOGHXFUFELZKSEH-UHFFFAOYSA-N
XLogP2.57
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829871
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829029
2-[[2-(4-chlorophenyl)-2-(diethylamino)ethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829315
2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824762
2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829448
2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829028
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110829171
2-[(4-methoxyphenyl)methylamino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824502
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethanone
CID 110829205
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (CID 110829595) is 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is CCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is OGHXFUFELZKSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-4-27(5-2)24(20-9-11-22(32-3)12-10-20)18-26-19-25(29)21-7-6-8-23(17-21)34(30,31)28-13-15-33-16-14-28/h6-12,17,24,26H,4-5,13-16,18-19H2,1-3H3.
What are the key properties of 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 489.64 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110829595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).