N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide

C17H23NO5S — CID 167858913

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1cccc2c1OC(C)(C)C2)C1CCCO1
InChIInChI=1S/C17H23NO5S/c1-11(13-7-5-9-22-13)16(19)18-24(20,21)14-8-4-6-12-10-17(2,3)23-15(12)14/h4,6,8,11,13H,5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyKJLQFWGPVDHEFG-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.02
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide (PubChem CID 167858913) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide
PubChem CID167858913
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1cccc2c1OC(C)(C)C2)C1CCCO1
InChIInChI=1S/C17H23NO5S/c1-11(13-7-5-9-22-13)16(19)18-24(20,21)14-8-4-6-12-10-17(2,3)23-15(12)14/h4,6,8,11,13H,5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyKJLQFWGPVDHEFG-UHFFFAOYSA-N
XLogP2.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
CID 134105455
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
CID 136562958
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
5-(methylsulfamoyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 35265676
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38330248

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide (CID 167858913) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide is CC(C(=O)NS(=O)(=O)c1cccc2c1OC(C)(C)C2)C1CCCO1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide?
The InChIKey is KJLQFWGPVDHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-11(13-7-5-9-22-13)16(19)18-24(20,21)14-8-4-6-12-10-17(2,3)23-15(12)14/h4,6,8,11,13H,5,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide has a molecular weight of 353.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-2-(oxolan-2-yl)propanamide is sourced from PubChem (CID 167858913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).