N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C17H23ClN2O3S — CID 60559067

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C17H23ClN2O3S/c1-13(14-4-3-5-15(18)10-14)19(2)16(21)11-24-12-17(22)20-6-8-23-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyHYDZDUBZGCVIQK-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.45
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 60559067) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID60559067
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C17H23ClN2O3S/c1-13(14-4-3-5-15(18)10-14)19(2)16(21)11-24-12-17(22)20-6-8-23-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyHYDZDUBZGCVIQK-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 60559067) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CC(c1cccc(Cl)c1)N(C)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is HYDZDUBZGCVIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-13(14-4-3-5-15(18)10-14)19(2)16(21)11-24-12-17(22)20-6-8-23-9-7-20/h3-5,10,13H,6-9,11-12H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 370.90 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 60559067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).