2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide

C13H22N2O5S — CID 61273619

IUPAC2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O5S/c1-21(17,18)9-5-12(14)13(16)15-6-3-7-19-10-11-4-2-8-20-11/h2,4,8,12H,3,5-7,9-10,14H2,1H3,(H,15,16)
InChIKeySSFWEDMVXSKLCA-UHFFFAOYSA-N
MW318.39 g/mol
LogP0.06
Rot. Bonds10

About 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide

2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide (PubChem CID 61273619) has the molecular formula C13H22N2O5S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
PubChem CID61273619
Molecular FormulaC13H22N2O5S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O5S/c1-21(17,18)9-5-12(14)13(16)15-6-3-7-19-10-11-4-2-8-20-11/h2,4,8,12H,3,5-7,9-10,14H2,1H3,(H,15,16)
InChIKeySSFWEDMVXSKLCA-UHFFFAOYSA-N
XLogP0.06
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
CID 94176412
2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957064
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide (CID 61273619) is 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide?
The InChIKey is SSFWEDMVXSKLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-21(17,18)9-5-12(14)13(16)15-6-3-7-19-10-11-4-2-8-20-11/h2,4,8,12H,3,5-7,9-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide?
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide has a molecular weight of 318.39 g/mol, XLogP of 0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 61273619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).