1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

C16H23N3O4S — CID 4009166

IUPAC1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-8-10-23-11-9-18)13-17-14-4-3-5-15(12-14)24(21,22)19-6-1-2-7-19/h3-5,12,17H,1-2,6-11,13H2
InChIKeyJIPBNFRXGIOKGJ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.74
Rot. Bonds5

About 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (PubChem CID 4009166) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
PubChem CID4009166
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-8-10-23-11-9-18)13-17-14-4-3-5-15(12-14)24(21,22)19-6-1-2-7-19/h3-5,12,17H,1-2,6-11,13H2
InChIKeyJIPBNFRXGIOKGJ-UHFFFAOYSA-N
XLogP0.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
4-morpholin-4-yl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 154772070
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 46797702
2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678883
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-phenylethyl]acetamide
CID 9101152
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 9083286

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (CID 4009166) is 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The InChIKey is JIPBNFRXGIOKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-16(18-8-10-23-11-9-18)13-17-14-4-3-5-15(12-14)24(21,22)19-6-1-2-7-19/h3-5,12,17H,1-2,6-11,13H2.
What are the key properties of 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone has a molecular weight of 353.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 4009166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).