[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C23H26N2O7S — CID 4536994

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C23H26N2O7S/c1-17(26)19-3-2-4-20(15-19)24-22(27)16-32-23(28)10-7-18-5-8-21(9-6-18)33(29,30)25-11-13-31-14-12-25/h2-6,8-9,15H,7,10-14,16H2,1H3,(H,24,27)
InChIKeyNBEFFBZNRTVOGU-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.02
Rot. Bonds9

About [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 4536994) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID4536994
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C23H26N2O7S/c1-17(26)19-3-2-4-20(15-19)24-22(27)16-32-23(28)10-7-18-5-8-21(9-6-18)33(29,30)25-11-13-31-14-12-25/h2-6,8-9,15H,7,10-14,16H2,1H3,(H,24,27)
InChIKeyNBEFFBZNRTVOGU-UHFFFAOYSA-N
XLogP2.02
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2118303
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
3-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid
CID 1081904
4-methyl-N-(3-(morpholine-4-carbonyl)phenyl)benzenesulfonamide
CID 1097769
N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 1118039
N-(3-acetylphenyl)-4-(1-piperidinylsulfonyl)benzamide
CID 1263021
3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 1303186
N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325899

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 4536994) is [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is CC(=O)c1cccc(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is NBEFFBZNRTVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-17(26)19-3-2-4-20(15-19)24-22(27)16-32-23(28)10-7-18-5-8-21(9-6-18)33(29,30)25-11-13-31-14-12-25/h2-6,8-9,15H,7,10-14,16H2,1H3,(H,24,27).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 474.54 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 4536994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).