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

C16H20N2O5S — CID 113138556

IUPAC3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-14-7-5-13(6-8-14)17-16(19)9-10-18(24(2,20)21)12-15-4-3-11-23-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyHFUDVEFWMIUPOE-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.08
Rot. Bonds8

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

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 113138556) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID113138556
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-14-7-5-13(6-8-14)17-16(19)9-10-18(24(2,20)21)12-15-4-3-11-23-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyHFUDVEFWMIUPOE-UHFFFAOYSA-N
XLogP2.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
3-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 113139457
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide (CID 113138556) is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(Cc2ccco2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is HFUDVEFWMIUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-22-14-7-5-13(6-8-14)17-16(19)9-10-18(24(2,20)21)12-15-4-3-11-23-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide?
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 352.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113138556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).