N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C14H17NO3S — CID 110731718

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccccc2C)o1
InChIInChI=1S/C14H17NO3S/c1-11-5-3-4-6-13(11)10-19(16,17)15-9-14-8-7-12(2)18-14/h3-8,15H,9-10H2,1-2H3
InChIKeyIAOCZWLZMJUSQU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.52
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110731718) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110731718
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccccc2C)o1
InChIInChI=1S/C14H17NO3S/c1-11-5-3-4-6-13(11)10-19(16,17)15-9-14-8-7-12(2)18-14/h3-8,15H,9-10H2,1-2H3
InChIKeyIAOCZWLZMJUSQU-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
CID 62525259
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110416275
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782446
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110731718) is N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccc(CNS(=O)(=O)Cc2ccccc2C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is IAOCZWLZMJUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11-5-3-4-6-13(11)10-19(16,17)15-9-14-8-7-12(2)18-14/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110731718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).