N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C14H26N2O4S — CID 61444420

IUPACN-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCCCN(CCO)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-2-3-4-15(5-8-17)13(18)11-21-12-14(19)16-6-9-20-10-7-16/h17H,2-12H2,1H3
InChIKeyFGTWKUARXLXCJA-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.20
Rot. Bonds9

About N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 61444420) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID61444420
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCCCN(CCO)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-2-3-4-15(5-8-17)13(18)11-21-12-14(19)16-6-9-20-10-7-16/h17H,2-12H2,1H3
InChIKeyFGTWKUARXLXCJA-UHFFFAOYSA-N
XLogP0.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 61444420) is N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCCCN(CCO)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is FGTWKUARXLXCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-2-3-4-15(5-8-17)13(18)11-21-12-14(19)16-6-9-20-10-7-16/h17H,2-12H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 318.44 g/mol, XLogP of 0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 61444420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).