N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide

C12H15NO3S — CID 47062264

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
SMILESCc1c(C(C)NS(C)(=O)=O)oc2ccccc12
InChIInChI=1S/C12H15NO3S/c1-8-10-6-4-5-7-11(10)16-12(8)9(2)13-17(3,14)15/h4-7,9,13H,1-3H3
InChIKeyPGQATNGAEPVWLH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide (PubChem CID 47062264) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
PubChem CID47062264
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
SMILESCc1c(C(C)NS(C)(=O)=O)oc2ccccc12
InChIInChI=1S/C12H15NO3S/c1-8-10-6-4-5-7-11(10)16-12(8)9(2)13-17(3,14)15/h4-7,9,13H,1-3H3
InChIKeyPGQATNGAEPVWLH-UHFFFAOYSA-N
XLogP2.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
CID 119039497
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393585
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303
N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
CID 56789337
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762928

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide (CID 47062264) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide is Cc1c(C(C)NS(C)(=O)=O)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide?
The InChIKey is PGQATNGAEPVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-10-6-4-5-7-11(10)16-12(8)9(2)13-17(3,14)15/h4-7,9,13H,1-3H3.
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 47062264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).