N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide

C17H22N2O4S — CID 113066497

IUPACN-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(Cc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-14-5-3-6-15(11-14)12-17(20)18-8-9-19(24(2,21)22)13-16-7-4-10-23-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,18,20)
InChIKeyIMQFOWPOLVEAOR-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113066497) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113066497
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(Cc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S/c1-14-5-3-6-15(11-14)12-17(20)18-8-9-19(24(2,21)22)13-16-7-4-10-23-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,18,20)
InChIKeyIMQFOWPOLVEAOR-UHFFFAOYSA-N
XLogP1.71
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylphenyl)methanesulfonamide
CID 56792262
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide (CID 113066497) is N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCN(Cc2ccco2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is IMQFOWPOLVEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-14-5-3-6-15(11-14)12-17(20)18-8-9-19(24(2,21)22)13-16-7-4-10-23-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113066497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).