N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide

C15H19NO3S — CID 71787283

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3S/c1-15(18,7-8-20-2)10-16-14(17)13-9-11-5-3-4-6-12(11)19-13/h3-6,9,18H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyZZRZCVOXLFSDKR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.67
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 71787283) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
PubChem CID71787283
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3S/c1-15(18,7-8-20-2)10-16-14(17)13-9-11-5-3-4-6-12(11)19-13/h3-6,9,18H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyZZRZCVOXLFSDKR-UHFFFAOYSA-N
XLogP2.67
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-oxochromene-3-carboxamide
CID 95984367
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-oxochromene-3-carboxamide
CID 90498518
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 71787269

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide (CID 71787283) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide is CSCCC(C)(O)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZZRZCVOXLFSDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(18,7-8-20-2)10-16-14(17)13-9-11-5-3-4-6-12(11)19-13/h3-6,9,18H,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71787283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).