methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate

C17H24N2O4S — CID 55883515

IUPACmethyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H24N2O4S/c1-13(17(21)22-2)24-15-6-4-3-5-14(15)16(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyFLANFIQJGDYADG-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.40
Rot. Bonds7

About methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate

methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate (PubChem CID 55883515) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
PubChem CID55883515
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namemethyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H24N2O4S/c1-13(17(21)22-2)24-15-6-4-3-5-14(15)16(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyFLANFIQJGDYADG-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
methyl 2-[2-(prop-2-ynylcarbamoyl)phenyl]sulfanylpropanoate
CID 60528568
N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
CID 51091605
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The IUPAC name of methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate (CID 55883515) is methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate is COC(=O)C(C)Sc1ccccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
The InChIKey is FLANFIQJGDYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13(17(21)22-2)24-15-6-4-3-5-14(15)16(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate?
methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate has a molecular weight of 352.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate is sourced from PubChem (CID 55883515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).