N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C15H18N2O5S — CID 8892824

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O5S/c18-14(8-23-9-15(19)17-3-5-20-6-4-17)16-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,18)
InChIKeyMTCOQPNLNNAUNW-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.95
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 8892824) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID8892824
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O5S/c18-14(8-23-9-15(19)17-3-5-20-6-4-17)16-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,18)
InChIKeyMTCOQPNLNNAUNW-UHFFFAOYSA-N
XLogP0.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119618971
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064800
methyl 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpropanoate
CID 8785432
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 28771218
N-(1,3-benzodioxol-5-yl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956531
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55329432
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942469
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 45355709
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 8892824) is N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is MTCOQPNLNNAUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c18-14(8-23-9-15(19)17-3-5-20-6-4-17)16-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 338.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 8892824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).