N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

C17H22N2O5S — CID 113138558

IUPACN-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCCOc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-3-23-15-8-6-14(7-9-15)18-17(20)10-11-19(25(2,21)22)13-16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,18,20)
InChIKeyJETZXCZNMLLRGP-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.47
Rot. Bonds9

About N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (PubChem CID 113138558) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
PubChem CID113138558
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCCOc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-3-23-15-8-6-14(7-9-15)18-17(20)10-11-19(25(2,21)22)13-16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,18,20)
InChIKeyJETZXCZNMLLRGP-UHFFFAOYSA-N
XLogP2.47
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (CID 113138558) is N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is CCOc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The InChIKey is JETZXCZNMLLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-3-23-15-8-6-14(7-9-15)18-17(20)10-11-19(25(2,21)22)13-16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide has a molecular weight of 366.44 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113138558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).