N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide

C13H19NO2S — CID 94184404

IUPACN-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1ccc(CNC(=O)CC[C@H]2CCCO2)s1
InChIInChI=1S/C13H19NO2S/c1-10-4-6-12(17-10)9-14-13(15)7-5-11-3-2-8-16-11/h4,6,11H,2-3,5,7-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyATFTWTQIVQGYMJ-LLVKDONJSA-N
MW253.37 g/mol
LogP2.63
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 94184404) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID94184404
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1ccc(CNC(=O)CC[C@H]2CCCO2)s1
InChIInChI=1S/C13H19NO2S/c1-10-4-6-12(17-10)9-14-13(15)7-5-11-3-2-8-16-11/h4,6,11H,2-3,5,7-9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyATFTWTQIVQGYMJ-LLVKDONJSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
CID 71919174
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
CID 65157400
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96566487
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 94184404) is N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide is Cc1ccc(CNC(=O)CC[C@H]2CCCO2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is ATFTWTQIVQGYMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-4-6-12(17-10)9-14-13(15)7-5-11-3-2-8-16-11/h4,6,11H,2-3,5,7-9H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 253.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94184404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).