N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide

C13H20N2OS — CID 114234945

IUPACN-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
SMILESCCNC(=O)CSCC(NC)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-3-15-13(16)10-17-9-12(14-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyULXALZSSCAKFDE-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.82
Rot. Bonds7

About N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide

N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide (PubChem CID 114234945) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
PubChem CID114234945
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
SMILESCCNC(=O)CSCC(NC)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-3-15-13(16)10-17-9-12(14-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyULXALZSSCAKFDE-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide (CID 114234945) is N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide is CCNC(=O)CSCC(NC)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide?
The InChIKey is ULXALZSSCAKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-15-13(16)10-17-9-12(14-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide?
N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 114234945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).