N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide

C20H28N2O3S — CID 55462976

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NCC(c2ccco2)N(CC)CC)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)18(19-8-7-13-25-19)14-21-20(23)15-26-17-11-9-16(10-12-17)24-6-3/h7-13,18H,4-6,14-15H2,1-3H3,(H,21,23)
InChIKeyPRIJVVUOHYBTLW-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.97
Rot. Bonds11

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 55462976) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID55462976
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NCC(c2ccco2)N(CC)CC)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)18(19-8-7-13-25-19)14-21-20(23)15-26-17-11-9-16(10-12-17)24-6-3/h7-13,18H,4-6,14-15H2,1-3H3,(H,21,23)
InChIKeyPRIJVVUOHYBTLW-UHFFFAOYSA-N
XLogP3.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8565053
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 42985063
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
N-[2,2-bis(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 131702564

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide (CID 55462976) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)NCC(c2ccco2)N(CC)CC)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is PRIJVVUOHYBTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-22(5-2)18(19-8-7-13-25-19)14-21-20(23)15-26-17-11-9-16(10-12-17)24-6-3/h7-13,18H,4-6,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 376.52 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 55462976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).