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

C16H21NO4S — CID 119039497

IUPAC2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
SMILESCc1c(C(C)NS(=O)(=O)C2CCOC2C)oc2ccccc12
InChIInChI=1S/C16H21NO4S/c1-10-13-6-4-5-7-14(13)21-16(10)11(2)17-22(18,19)15-8-9-20-12(15)3/h4-7,11-12,15,17H,8-9H2,1-3H3
InChIKeyZDZRVRFMUJEIDO-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.90
Rot. Bonds4

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

2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide (PubChem CID 119039497) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
PubChem CID119039497
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide
SMILESCc1c(C(C)NS(=O)(=O)C2CCOC2C)oc2ccccc12
InChIInChI=1S/C16H21NO4S/c1-10-13-6-4-5-7-14(13)21-16(10)11(2)17-22(18,19)15-8-9-20-12(15)3/h4-7,11-12,15,17H,8-9H2,1-3H3
InChIKeyZDZRVRFMUJEIDO-UHFFFAOYSA-N
XLogP2.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
4-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclohexan-1-amine
CID 43761485
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyloxan-4-yl)urea
CID 166533084
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide
CID 129446442
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736
3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
CID 103082873
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide?
The IUPAC name of 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide (CID 119039497) is 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide is Cc1c(C(C)NS(=O)(=O)C2CCOC2C)oc2ccccc12.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide?
The InChIKey is ZDZRVRFMUJEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-10-13-6-4-5-7-14(13)21-16(10)11(2)17-22(18,19)15-8-9-20-12(15)3/h4-7,11-12,15,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide?
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]oxolane-3-sulfonamide is sourced from PubChem (CID 119039497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).