N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

C16H26N2O4S2 — CID 52524946

IUPACN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCCN(CC)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C16H26N2O4S2/c1-3-18(4-2)14(15-6-5-8-22-15)10-17-16(19)11-23-13-7-9-24(20,21)12-13/h5-6,8,13-14H,3-4,7,9-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyFDZBMUITEVFHRG-KBPBESRZSA-N
MW374.53 g/mol
LogP1.70
Rot. Bonds9

About N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (PubChem CID 52524946) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
PubChem CID52524946
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCCN(CC)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C16H26N2O4S2/c1-3-18(4-2)14(15-6-5-8-22-15)10-17-16(19)11-23-13-7-9-24(20,21)12-13/h5-6,8,13-14H,3-4,7,9-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyFDZBMUITEVFHRG-KBPBESRZSA-N
XLogP1.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55407153
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
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]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828169
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120634583

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (CID 52524946) is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is CCN(CC)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The InChIKey is FDZBMUITEVFHRG-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-3-18(4-2)14(15-6-5-8-22-15)10-17-16(19)11-23-13-7-9-24(20,21)12-13/h5-6,8,13-14H,3-4,7,9-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide has a molecular weight of 374.53 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 52524946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).