N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

C12H19NO3S — CID 66139067

IUPACN-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(CCO)SCC(=O)NC(C)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-9(5-6-14)17-8-12(15)13-10(2)11-4-3-7-16-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyTUZVCGBQZWVGBD-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.96
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 66139067) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID66139067
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(CCO)SCC(=O)NC(C)c1ccco1
InChIInChI=1S/C12H19NO3S/c1-9(5-6-14)17-8-12(15)13-10(2)11-4-3-7-16-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyTUZVCGBQZWVGBD-UHFFFAOYSA-N
XLogP1.96
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442281
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (CID 66139067) is N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is CC(CCO)SCC(=O)NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is TUZVCGBQZWVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(5-6-14)17-8-12(15)13-10(2)11-4-3-7-16-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 257.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 66139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).