N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide

C20H27NO3S — CID 90599639

IUPACN-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCC(CNS(=O)(=O)c1ccc(C(C)C)cc1)(OC)c1ccccc1
InChIInChI=1S/C20H27NO3S/c1-5-20(24-4,18-9-7-6-8-10-18)15-21-25(22,23)19-13-11-17(12-14-19)16(2)3/h6-14,16,21H,5,15H2,1-4H3
InChIKeyMPQNEHRGICEUIC-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.04
Rot. Bonds8

About N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide

N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 90599639) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID90599639
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCC(CNS(=O)(=O)c1ccc(C(C)C)cc1)(OC)c1ccccc1
InChIInChI=1S/C20H27NO3S/c1-5-20(24-4,18-9-7-6-8-10-18)15-21-25(22,23)19-13-11-17(12-14-19)16(2)3/h6-14,16,21H,5,15H2,1-4H3
InChIKeyMPQNEHRGICEUIC-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
CID 71810764
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
CID 75496479
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide
CID 90599654
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide (CID 90599639) is N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide is CCC(CNS(=O)(=O)c1ccc(C(C)C)cc1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MPQNEHRGICEUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-5-20(24-4,18-9-7-6-8-10-18)15-21-25(22,23)19-13-11-17(12-14-19)16(2)3/h6-14,16,21H,5,15H2,1-4H3.
What are the key properties of N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90599639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).