4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide

C19H25NO4S — CID 55352634

IUPAC4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-15(2)16-9-11-17(12-10-16)25(21,22)20-13-14-24-19-8-6-5-7-18(19)23-3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyHVGQAHZMIMZRKI-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.57
Rot. Bonds9

About 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide

4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide (PubChem CID 55352634) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
PubChem CID55352634
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-15(2)16-9-11-17(12-10-16)25(21,22)20-13-14-24-19-8-6-5-7-18(19)23-3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyHVGQAHZMIMZRKI-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.57
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

4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 9450706
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide (CID 55352634) is 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1.
What is the InChIKey of 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide?
The InChIKey is HVGQAHZMIMZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-15(2)16-9-11-17(12-10-16)25(21,22)20-13-14-24-19-8-6-5-7-18(19)23-3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide?
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 55352634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).