N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

C17H22N2O4S — CID 113139093

IUPACN-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O4S/c1-14(15-7-4-3-5-8-15)19(24(2,21)22)11-10-17(20)18-13-16-9-6-12-23-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20)
InChIKeyWBUUZBHPBCMEPH-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.31
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (PubChem CID 113139093) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
PubChem CID113139093
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O4S/c1-14(15-7-4-3-5-8-15)19(24(2,21)22)11-10-17(20)18-13-16-9-6-12-23-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20)
InChIKeyWBUUZBHPBCMEPH-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
CID 42703658
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (CID 113139093) is N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is CC(c1ccccc1)N(CCC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The InChIKey is WBUUZBHPBCMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-14(15-7-4-3-5-8-15)19(24(2,21)22)11-10-17(20)18-13-16-9-6-12-23-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide has a molecular weight of 350.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 113139093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).