N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C15H20N2O3S — CID 733613

IUPACN-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12-2-4-13(5-3-12)16-14(18)10-21-11-15(19)17-6-8-20-9-7-17/h2-5H,6-11H2,1H3,(H,16,18)
InChIKeySWSVKXVWATZWAW-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.53
Rot. Bonds5

About N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 733613) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID733613
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12-2-4-13(5-3-12)16-14(18)10-21-11-15(19)17-6-8-20-9-7-17/h2-5H,6-11H2,1H3,(H,16,18)
InChIKeySWSVKXVWATZWAW-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 733613) is N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is SWSVKXVWATZWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-2-4-13(5-3-12)16-14(18)10-21-11-15(19)17-6-8-20-9-7-17/h2-5H,6-11H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 308.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).