[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C27H29N3O8S — CID 5146120

IUPAC[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C27H29N3O8S/c31-25-16-20-4-2-1-3-19(20)15-22(25)27(33)38-18-26(32)28-23-17-21(39(34,35)30-9-13-37-14-10-30)5-6-24(23)29-7-11-36-12-8-29/h1-6,15-17,31H,7-14,18H2,(H,28,32)
InChIKeySUINDFSCNZLOGL-UHFFFAOYSA-N
MW555.61 g/mol
LogP2.20
Rot. Bonds7

About [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 5146120) has the molecular formula C27H29N3O8S and a molecular weight of 555.61 g/mol. Its IUPAC name is [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID5146120
Molecular FormulaC27H29N3O8S
Molecular Weight555.61 g/mol
Exact Mass555.17
IUPAC Name[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C27H29N3O8S/c31-25-16-20-4-2-1-3-19(20)15-22(25)27(33)38-18-26(32)28-23-17-21(39(34,35)30-9-13-37-14-10-30)5-6-24(23)29-7-11-36-12-8-29/h1-6,15-17,31H,7-14,18H2,(H,28,32)
InChIKeySUINDFSCNZLOGL-UHFFFAOYSA-N
XLogP2.20
TPSA134.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.61
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2365764
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 5216601
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 4666759
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 4079305
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540356
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520
2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 16546072
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
2-(2-methylindol-1-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16566391

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 5146120) is [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is SUINDFSCNZLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O8S/c31-25-16-20-4-2-1-3-19(20)15-22(25)27(33)38-18-26(32)28-23-17-21(39(34,35)30-9-13-37-14-10-30)5-6-24(23)29-7-11-36-12-8-29/h1-6,15-17,31H,7-14,18H2,(H,28,32).
What are the key properties of [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 555.61 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 5146120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).