2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H20N4O3S — CID 146149634

IUPAC2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CC(Cn4cncn4)C3)ccc2O1
InChIInChI=1S/C16H20N4O3S/c1-11-4-13-7-15(2-3-16(13)23-11)24(21,22)19-14-5-12(6-14)8-20-10-17-9-18-20/h2-3,7,9-12,14,19H,4-6,8H2,1H3
InChIKeyJECHQGPJRVLCRG-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 146149634) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID146149634
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CC(Cn4cncn4)C3)ccc2O1
InChIInChI=1S/C16H20N4O3S/c1-11-4-13-7-15(2-3-16(13)23-11)24(21,22)19-14-5-12(6-14)8-20-10-17-9-18-20/h2-3,7,9-12,14,19H,4-6,8H2,1H3
InChIKeyJECHQGPJRVLCRG-UHFFFAOYSA-N
XLogP1.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 146149634) is 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)NC3CC(Cn4cncn4)C3)ccc2O1.
What is the InChIKey of 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is JECHQGPJRVLCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-4-13-7-15(2-3-16(13)23-11)24(21,22)19-14-5-12(6-14)8-20-10-17-9-18-20/h2-3,7,9-12,14,19H,4-6,8H2,1H3.
What are the key properties of 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 146149634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).