4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

C20H27NO4S — CID 55639102

IUPAC4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C
InChIInChI=1S/C20H27NO4S/c1-16-15-19(11-12-20(16)25-14-13-24-3)26(22,23)21-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-12,15,17,21H,9-10,13-14H2,1-3H3
InChIKeyCQKVFNWZOXWCDP-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.32
Rot. Bonds10

About 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 55639102) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID55639102
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C
InChIInChI=1S/C20H27NO4S/c1-16-15-19(11-12-20(16)25-14-13-24-3)26(22,23)21-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-12,15,17,21H,9-10,13-14H2,1-3H3
InChIKeyCQKVFNWZOXWCDP-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.32
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-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30144142
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 41032281
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133166471

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 55639102) is 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is CQKVFNWZOXWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-16-15-19(11-12-20(16)25-14-13-24-3)26(22,23)21-17(2)9-10-18-7-5-4-6-8-18/h4-8,11-12,15,17,21H,9-10,13-14H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 55639102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).