[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate

C18H26N2O7S2 — CID 97095361

IUPAC[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate
SMILESCC[C@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O7S2/c1-4-15(28-3)18(22)27-12-17(21)19-13-5-6-14(25-2)16(11-13)29(23,24)20-7-9-26-10-8-20/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyBGSFDKHCPKRCJC-HNNXBMFYSA-N
MW446.55 g/mol
LogP1.34
Rot. Bonds9

About [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate

[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate (PubChem CID 97095361) has the molecular formula C18H26N2O7S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate
PubChem CID97095361
Molecular FormulaC18H26N2O7S2
Molecular Weight446.55 g/mol
Exact Mass446.12
IUPAC Name[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate
SMILESCC[C@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O7S2/c1-4-15(28-3)18(22)27-12-17(21)19-13-5-6-14(25-2)16(11-13)29(23,24)20-7-9-26-10-8-20/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyBGSFDKHCPKRCJC-HNNXBMFYSA-N
XLogP1.34
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate with MolForge

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
[2-(3-ethylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42971588
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4857492
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate?
The IUPAC name of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate (CID 97095361) is [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate.
What is the SMILES notation for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate?
The canonical SMILES for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate is CC[C@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate?
The InChIKey is BGSFDKHCPKRCJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O7S2/c1-4-15(28-3)18(22)27-12-17(21)19-13-5-6-14(25-2)16(11-13)29(23,24)20-7-9-26-10-8-20/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate?
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate has a molecular weight of 446.55 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate is sourced from PubChem (CID 97095361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).