N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C16H23NO5S — CID 95324426

IUPACN-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2c(c1C)C(=O)CCC2)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C16H23NO5S/c1-5-17(10(2)9-23(4,20)21)16(19)15-11(3)14-12(18)7-6-8-13(14)22-15/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyWPDRGPHGXSGJTL-JTQLQIEISA-N
MW341.43 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 95324426) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID95324426
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC NameN-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2c(c1C)C(=O)CCC2)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C16H23NO5S/c1-5-17(10(2)9-23(4,20)21)16(19)15-11(3)14-12(18)7-6-8-13(14)22-15/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyWPDRGPHGXSGJTL-JTQLQIEISA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide 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 N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 95324426) is N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is WPDRGPHGXSGJTL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23NO5S/c1-5-17(10(2)9-23(4,20)21)16(19)15-11(3)14-12(18)7-6-8-13(14)22-15/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95324426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).