1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone

C23H29N3O6S2 — CID 110828401

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S2/c27-23(19-4-8-21(9-5-19)34(30,31)26-14-16-32-17-15-26)18-24-20-6-10-22(11-7-20)33(28,29)25-12-2-1-3-13-25/h4-11,24H,1-3,12-18H2
InChIKeyLYNAZRZXUXPWPP-UHFFFAOYSA-N
MW507.63 g/mol
LogP2.18
Rot. Bonds8

About 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone

1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone (PubChem CID 110828401) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
PubChem CID110828401
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S2/c27-23(19-4-8-21(9-5-19)34(30,31)26-14-16-32-17-15-26)18-24-20-6-10-22(11-7-20)33(28,29)25-12-2-1-3-13-25/h4-11,24H,1-3,12-18H2
InChIKeyLYNAZRZXUXPWPP-UHFFFAOYSA-N
XLogP2.18
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828482
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone (CID 110828401) is 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone is O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone?
The InChIKey is LYNAZRZXUXPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c27-23(19-4-8-21(9-5-19)34(30,31)26-14-16-32-17-15-26)18-24-20-6-10-22(11-7-20)33(28,29)25-12-2-1-3-13-25/h4-11,24H,1-3,12-18H2.
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone?
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone has a molecular weight of 507.63 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 110828401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).