N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide

C15H19NO2S — CID 129358251

IUPACN-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide
SMILESCc1ccc(CC[C@H](C)NC(=O)Cc2ccsc2)o1
InChIInChI=1S/C15H19NO2S/c1-11(3-5-14-6-4-12(2)18-14)16-15(17)9-13-7-8-19-10-13/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyFJBAVGHXWOTABX-NSHDSACASA-N
MW277.39 g/mol
LogP3.33
Rot. Bonds6

About N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide

N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 129358251) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide
PubChem CID129358251
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide
SMILESCc1ccc(CC[C@H](C)NC(=O)Cc2ccsc2)o1
InChIInChI=1S/C15H19NO2S/c1-11(3-5-14-6-4-12(2)18-14)16-15(17)9-13-7-8-19-10-13/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyFJBAVGHXWOTABX-NSHDSACASA-N
XLogP3.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
(2R)-4-methylsulfanyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 28777321
4-methylsulfonyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43105283
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129358962
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide (CID 129358251) is N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide is Cc1ccc(CC[C@H](C)NC(=O)Cc2ccsc2)o1.
What is the InChIKey of N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is FJBAVGHXWOTABX-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(3-5-14-6-4-12(2)18-14)16-15(17)9-13-7-8-19-10-13/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide?
N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 129358251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).