4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C22H28N2O4S — CID 17200530

IUPAC4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H28N2O4S/c1-17(10-11-18-8-4-3-5-9-18)23-29(26,27)19-12-13-21(28-2)20(16-19)22(25)24-14-6-7-15-24/h3-5,8-9,12-13,16-17,23H,6-7,10-11,14-15H2,1-2H3
InChIKeyJSLUUYGKBVXJJI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.23
Rot. Bonds8

About 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 17200530) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID17200530
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H28N2O4S/c1-17(10-11-18-8-4-3-5-9-18)23-29(26,27)19-12-13-21(28-2)20(16-19)22(25)24-14-6-7-15-24/h3-5,8-9,12-13,16-17,23H,6-7,10-11,14-15H2,1-2H3
InChIKeyJSLUUYGKBVXJJI-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
3-(azepane-1-carbonyl)-4-methoxy-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43885368
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 92677584
3-(azepane-1-carbonyl)-4-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 46771236
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
3-(azepane-1-carbonyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 30393288
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 17200530) is 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1C(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JSLUUYGKBVXJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(10-11-18-8-4-3-5-9-18)23-29(26,27)19-12-13-21(28-2)20(16-19)22(25)24-14-6-7-15-24/h3-5,8-9,12-13,16-17,23H,6-7,10-11,14-15H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 17200530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).