N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide

C17H22N2O4S — CID 53288249

IUPACN-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccccc1N(CCCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O4S/c1-14-7-3-4-9-16(14)19(24(2,21)22)11-5-10-17(20)18-13-15-8-6-12-23-15/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,18,20)
InChIKeyCYMVEYIWTANNED-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.45
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide

N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53288249) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53288249
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccccc1N(CCCC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O4S/c1-14-7-3-4-9-16(14)19(24(2,21)22)11-5-10-17(20)18-13-15-8-6-12-23-15/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,18,20)
InChIKeyCYMVEYIWTANNED-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 2286723
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide (CID 53288249) is N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide is Cc1ccccc1N(CCCC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is CYMVEYIWTANNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-14-7-3-4-9-16(14)19(24(2,21)22)11-5-10-17(20)18-13-15-8-6-12-23-15/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 350.44 g/mol, XLogP of 2.45, 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)-4-(2-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53288249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).