N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide

C21H27NO4S — CID 166311190

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(S(=O)(=O)N(C)Cc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C21H27NO4S/c1-14(2)18-12-20(25-5)15(3)10-21(18)27(23,24)22(4)13-16-6-7-19-17(11-16)8-9-26-19/h6-7,10-12,14H,8-9,13H2,1-5H3
InChIKeyIRPMCSLJHLIXNJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.88
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide (PubChem CID 166311190) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide
PubChem CID166311190
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(S(=O)(=O)N(C)Cc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C21H27NO4S/c1-14(2)18-12-20(25-5)15(3)10-21(18)27(23,24)22(4)13-16-6-7-19-17(11-16)8-9-26-19/h6-7,10-12,14H,8-9,13H2,1-5H3
InChIKeyIRPMCSLJHLIXNJ-UHFFFAOYSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693973
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
CID 35315223
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 51313250
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide (CID 166311190) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide is COc1cc(C(C)C)c(S(=O)(=O)N(C)Cc2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide?
The InChIKey is IRPMCSLJHLIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-14(2)18-12-20(25-5)15(3)10-21(18)27(23,24)22(4)13-16-6-7-19-17(11-16)8-9-26-19/h6-7,10-12,14H,8-9,13H2,1-5H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 166311190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).