N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide

C11H17NO3S — CID 96537321

IUPACN-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
SMILESC[C@@H](O)[C@@H](C)SCC(=O)NCc1ccco1
InChIInChI=1S/C11H17NO3S/c1-8(13)9(2)16-7-11(14)12-6-10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyMVPRSGFZXTUAJH-RKDXNWHRSA-N
MW243.33 g/mol
LogP1.40
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide (PubChem CID 96537321) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
PubChem CID96537321
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
SMILESC[C@@H](O)[C@@H](C)SCC(=O)NCc1ccco1
InChIInChI=1S/C11H17NO3S/c1-8(13)9(2)16-7-11(14)12-6-10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyMVPRSGFZXTUAJH-RKDXNWHRSA-N
XLogP1.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
CID 97089602
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 82164446
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide (CID 96537321) is N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide is C[C@@H](O)[C@@H](C)SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide?
The InChIKey is MVPRSGFZXTUAJH-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(13)9(2)16-7-11(14)12-6-10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide has a molecular weight of 243.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide is sourced from PubChem (CID 96537321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).