N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide

C16H24N2OS — CID 64665708

IUPACN-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
SMILESCCNC(C)c1cccc(SCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-4-17-12(2)13-6-5-7-15(10-13)20-11-16(19)18(3)14-8-9-14/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeyGWFWEVLXFYPYAR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.07
Rot. Bonds7

About N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide

N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide (PubChem CID 64665708) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
PubChem CID64665708
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
SMILESCCNC(C)c1cccc(SCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H24N2OS/c1-4-17-12(2)13-6-5-7-15(10-13)20-11-16(19)18(3)14-8-9-14/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeyGWFWEVLXFYPYAR-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
CID 64663797
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylbutanamide
CID 64663796
N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
CID 64664243
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide (CID 64665708) is N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide is CCNC(C)c1cccc(SCC(=O)N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide?
The InChIKey is GWFWEVLXFYPYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-17-12(2)13-6-5-7-15(10-13)20-11-16(19)18(3)14-8-9-14/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide?
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 64665708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).