2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide

C11H16N2O3S — CID 100708985

IUPAC2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C11H16N2O3S/c1-12-10(14)7-17-8-11(15)13(2)6-9-4-3-5-16-9/h3-5H,6-8H2,1-2H3,(H,12,14)
InChIKeyBDKQMWHJDNQDTC-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide

2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 100708985) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
PubChem CID100708985
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C11H16N2O3S/c1-12-10(14)7-17-8-11(15)13(2)6-9-4-3-5-16-9/h3-5H,6-8H2,1-2H3,(H,12,14)
InChIKeyBDKQMWHJDNQDTC-UHFFFAOYSA-N
XLogP0.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31470349
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
(2S)-2-amino-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443214
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide (CID 100708985) is 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide is CNC(=O)CSCC(=O)N(C)Cc1ccco1.
What is the InChIKey of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The InChIKey is BDKQMWHJDNQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-12-10(14)7-17-8-11(15)13(2)6-9-4-3-5-16-9/h3-5H,6-8H2,1-2H3,(H,12,14).
What are the key properties of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide?
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 100708985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).