N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C18H33N3O4S — CID 55521436

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(C)CC(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H33N3O4S/c1-15(2)11-16(20-3-7-24-8-4-20)12-19-17(22)13-26-14-18(23)21-5-9-25-10-6-21/h15-16H,3-14H2,1-2H3,(H,19,22)
InChIKeyFAEZJWIWLNYCND-UHFFFAOYSA-N
MW387.55 g/mol
LogP0.44
Rot. Bonds9

About N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55521436) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55521436
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(C)CC(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H33N3O4S/c1-15(2)11-16(20-3-7-24-8-4-20)12-19-17(22)13-26-14-18(23)21-5-9-25-10-6-21/h15-16H,3-14H2,1-2H3,(H,19,22)
InChIKeyFAEZJWIWLNYCND-UHFFFAOYSA-N
XLogP0.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55521436) is N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CC(C)CC(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is FAEZJWIWLNYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-15(2)11-16(20-3-7-24-8-4-20)12-19-17(22)13-26-14-18(23)21-5-9-25-10-6-21/h15-16H,3-14H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 387.55 g/mol, XLogP of 0.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55521436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).