[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate

C24H29N3O6S — CID 5110382

IUPAC[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C24H29N3O6S/c28-23(18-33-24(29)16-19-6-2-1-3-7-19)25-21-17-20(8-9-22(21)26-10-4-5-11-26)34(30,31)27-12-14-32-15-13-27/h1-3,6-9,17H,4-5,10-16,18H2,(H,25,28)
InChIKeyYNTDYGSOTMZQMN-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.03
Rot. Bonds8

About [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate

[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 5110382) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID5110382
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C24H29N3O6S/c28-23(18-33-24(29)16-19-6-2-1-3-7-19)25-21-17-20(8-9-22(21)26-10-4-5-11-26)34(30,31)27-12-14-32-15-13-27/h1-3,6-9,17H,4-5,10-16,18H2,(H,25,28)
InChIKeyYNTDYGSOTMZQMN-UHFFFAOYSA-N
XLogP2.03
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-Nitroanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3660278
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 16282216
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 3383447
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-bromobenzoate
CID 3533798
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
CID 3590788
4-fluoro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 3609499
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520
2-(4-chlorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 3945324

Frequently Asked Questions

What is the IUPAC name of [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate (CID 5110382) is [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is YNTDYGSOTMZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c28-23(18-33-24(29)16-19-6-2-1-3-7-19)25-21-17-20(8-9-22(21)26-10-4-5-11-26)34(30,31)27-12-14-32-15-13-27/h1-3,6-9,17H,4-5,10-16,18H2,(H,25,28).
What are the key properties of [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 487.58 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 5110382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).