methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate

C18H26N2O6S — CID 67494631

IUPACmethyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate
SMILESCOC(=O)[C@H](CNS(=O)(=O)c1ccc(OCC2CC2)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O6S/c1-24-18(21)17(20-8-10-25-11-9-20)12-19-27(22,23)16-6-4-15(5-7-16)26-13-14-2-3-14/h4-7,14,17,19H,2-3,8-13H2,1H3/t17-/m0/s1
InChIKeyRETOUZJSNPEGDH-KRWDZBQOSA-N
MW398.48 g/mol
LogP0.63
Rot. Bonds9

About methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate

methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate (PubChem CID 67494631) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate
PubChem CID67494631
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Namemethyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate
SMILESCOC(=O)[C@H](CNS(=O)(=O)c1ccc(OCC2CC2)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O6S/c1-24-18(21)17(20-8-10-25-11-9-20)12-19-27(22,23)16-6-4-15(5-7-16)26-13-14-2-3-14/h4-7,14,17,19H,2-3,8-13H2,1H3/t17-/m0/s1
InChIKeyRETOUZJSNPEGDH-KRWDZBQOSA-N
XLogP0.63
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate
CID 67494614
methyl (2S)-3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 86675012
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
methyl 3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanoate
CID 67494924
4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid
CID 66870567
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
N-hydroxy-2-morpholin-4-yl-3-[[4-(pyrazolo[1,5-a]pyridin-3-ylmethoxy)phenyl]sulfonylamino]propanamide
CID 75306239
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
methyl (2S)-2-(4-methylsulfonylpiperazin-1-yl)-3-[[4-[(2-phenyl-4-pyridinyl)methoxy]phenyl]sulfonylamino]propanoate
CID 86675020
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate?
The IUPAC name of methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate (CID 67494631) is methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate?
The canonical SMILES for methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate is COC(=O)[C@H](CNS(=O)(=O)c1ccc(OCC2CC2)cc1)N1CCOCC1.
What is the InChIKey of methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate?
The InChIKey is RETOUZJSNPEGDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-24-18(21)17(20-8-10-25-11-9-20)12-19-27(22,23)16-6-4-15(5-7-16)26-13-14-2-3-14/h4-7,14,17,19H,2-3,8-13H2,1H3/t17-/m0/s1.
What are the key properties of methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate?
methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate has a molecular weight of 398.48 g/mol, XLogP of 0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 67494631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).