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

C17H26N2OS — CID 64663797

IUPACN-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
SMILESCCNC(C)c1cccc(SCC(=O)N(CC)C2CC2)c1
InChIInChI=1S/C17H26N2OS/c1-4-18-13(3)14-7-6-8-16(11-14)21-12-17(20)19(5-2)15-9-10-15/h6-8,11,13,15,18H,4-5,9-10,12H2,1-3H3
InChIKeyWNPSMFOYNLBHTJ-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.46
Rot. Bonds8

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

N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide (PubChem CID 64663797) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
PubChem CID64663797
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
SMILESCCNC(C)c1cccc(SCC(=O)N(CC)C2CC2)c1
InChIInChI=1S/C17H26N2OS/c1-4-18-13(3)14-7-6-8-16(11-14)21-12-17(20)19(5-2)15-9-10-15/h6-8,11,13,15,18H,4-5,9-10,12H2,1-3H3
InChIKeyWNPSMFOYNLBHTJ-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide
CID 66355572
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
CID 64664243
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylbutanamide
CID 64663796
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
CID 64666998
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-1,1-dioxothiolan-3-ol
CID 64666334

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide (CID 64663797) is N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide is CCNC(C)c1cccc(SCC(=O)N(CC)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide?
The InChIKey is WNPSMFOYNLBHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-18-13(3)14-7-6-8-16(11-14)21-12-17(20)19(5-2)15-9-10-15/h6-8,11,13,15,18H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide?
N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide has a molecular weight of 306.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 64663797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).