N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide

C15H15NO3S2 — CID 119104181

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCC(Cc1cc2ccccc2o1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO3S2/c1-11(16-21(17,18)15-7-4-8-20-15)9-13-10-12-5-2-3-6-14(12)19-13/h2-8,10-11,16H,9H2,1H3
InChIKeyJGPPVWPJCDKBLW-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 119104181) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID119104181
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCC(Cc1cc2ccccc2o1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO3S2/c1-11(16-21(17,18)15-7-4-8-20-15)9-13-10-12-5-2-3-6-14(12)19-13/h2-8,10-11,16H,9H2,1H3
InChIKeyJGPPVWPJCDKBLW-UHFFFAOYSA-N
XLogP3.40
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide (CID 119104181) is N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide is CC(Cc1cc2ccccc2o1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is JGPPVWPJCDKBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-11(16-21(17,18)15-7-4-8-20-15)9-13-10-12-5-2-3-6-14(12)19-13/h2-8,10-11,16H,9H2,1H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).