N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide

C20H25NO4S — CID 110314204

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H25NO4S/c1-16-6-2-3-8-18(16)15-26(22,23)21-11-5-4-7-17-9-10-19-20(14-17)25-13-12-24-19/h2-3,6,8-10,14,21H,4-5,7,11-13,15H2,1H3
InChIKeyYDNSFLKTIVWUIC-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.21
Rot. Bonds8

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110314204) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110314204
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H25NO4S/c1-16-6-2-3-8-18(16)15-26(22,23)21-11-5-4-7-17-9-10-19-20(14-17)25-13-12-24-19/h2-3,6,8-10,14,21H,4-5,7,11-13,15H2,1H3
InChIKeyYDNSFLKTIVWUIC-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(3-methylphenyl)methanesulfonamide
CID 110314205
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide
CID 110312242
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 113220739
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110791137
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide
CID 110633667
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide (CID 110314204) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YDNSFLKTIVWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-16-6-2-3-8-18(16)15-26(22,23)21-11-5-4-7-17-9-10-19-20(14-17)25-13-12-24-19/h2-3,6,8-10,14,21H,4-5,7,11-13,15H2,1H3.
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110314204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).