3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide

C17H22N2O4S — CID 113138485

IUPAC3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1)Cc1ccco1
InChIInChI=1S/C17H22N2O4S/c1-24(21,22)19(14-16-8-5-13-23-16)12-10-17(20)18-11-9-15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3,(H,18,20)
InChIKeyKYAUSDGUBIMLSJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.79
Rot. Bonds9

About 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 113138485) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID113138485
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1)Cc1ccco1
InChIInChI=1S/C17H22N2O4S/c1-24(21,22)19(14-16-8-5-13-23-16)12-10-17(20)18-11-9-15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3,(H,18,20)
InChIKeyKYAUSDGUBIMLSJ-UHFFFAOYSA-N
XLogP1.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide (CID 113138485) is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCCc1ccccc1)Cc1ccco1.
What is the InChIKey of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is KYAUSDGUBIMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-24(21,22)19(14-16-8-5-13-23-16)12-10-17(20)18-11-9-15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3,(H,18,20).
What are the key properties of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 350.44 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113138485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).