N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

C14H17NO3S — CID 110733578

IUPACN-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCc2ccco2)c1
InChIInChI=1S/C14H17NO3S/c1-12-4-2-5-13(10-12)11-19(16,17)15-8-7-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyLXDQAIPNSNUUOD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110733578) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID110733578
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCc2ccco2)c1
InChIInChI=1S/C14H17NO3S/c1-12-4-2-5-13(10-12)11-19(16,17)15-8-7-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyLXDQAIPNSNUUOD-UHFFFAOYSA-N
XLogP2.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
3-[2-(furan-2-yl)ethylsulfamoylmethyl]benzenecarbothioamide
CID 61470628
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111355284
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 55062668

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (CID 110733578) is N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCc2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is LXDQAIPNSNUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-12-4-2-5-13(10-12)11-19(16,17)15-8-7-14-6-3-9-18-14/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110733578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).