4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide

C25H29NO3S — CID 3729209

IUPAC4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H29NO3S/c1-19(2)29-23-13-11-22(12-14-23)25(21-7-5-4-6-8-21)17-18-26-30(27,28)24-15-9-20(3)10-16-24/h4-16,19,25-26H,17-18H2,1-3H3
InChIKeyLLASHTWWDZVLJJ-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.28
Rot. Bonds9

About 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide

4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide (PubChem CID 3729209) has the molecular formula C25H29NO3S and a molecular weight of 423.58 g/mol. Its IUPAC name is 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
PubChem CID3729209
Molecular FormulaC25H29NO3S
Molecular Weight423.58 g/mol
Exact Mass423.19
IUPAC Name4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H29NO3S/c1-19(2)29-23-13-11-22(12-14-23)25(21-7-5-4-6-8-21)17-18-26-30(27,28)24-15-9-20(3)10-16-24/h4-16,19,25-26H,17-18H2,1-3H3
InChIKeyLLASHTWWDZVLJJ-UHFFFAOYSA-N
XLogP5.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-methyl-N-[3-(4-nitrophenoxy)-3-phenylpropyl]benzenesulfonamide
CID 25139826
4-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzenesulfonamide
CID 25139967
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317040
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide (CID 3729209) is 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The InChIKey is LLASHTWWDZVLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3S/c1-19(2)29-23-13-11-22(12-14-23)25(21-7-5-4-6-8-21)17-18-26-30(27,28)24-15-9-20(3)10-16-24/h4-16,19,25-26H,17-18H2,1-3H3.
What are the key properties of 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide has a molecular weight of 423.58 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 3729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).