N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

C17H22N2O4S — CID 113138527

IUPACN-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-13-9-14(2)11-15(10-13)18-17(20)6-7-19(24(3,21)22)12-16-5-4-8-23-16/h4-5,8-11H,6-7,12H2,1-3H3,(H,18,20)
InChIKeyMPUUJNZJARTWJP-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.69
Rot. Bonds7

About N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (PubChem CID 113138527) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
PubChem CID113138527
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-13-9-14(2)11-15(10-13)18-17(20)6-7-19(24(3,21)22)12-16-5-4-8-23-16/h4-5,8-11H,6-7,12H2,1-3H3,(H,18,20)
InChIKeyMPUUJNZJARTWJP-UHFFFAOYSA-N
XLogP2.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (CID 113138527) is N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is Cc1cc(C)cc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The InChIKey is MPUUJNZJARTWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-13-9-14(2)11-15(10-13)18-17(20)6-7-19(24(3,21)22)12-16-5-4-8-23-16/h4-5,8-11H,6-7,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide has a molecular weight of 350.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113138527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).