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

C26H31NO3S — CID 3739700

IUPAC4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H31NO3S/c1-19(2)30-24-13-11-23(12-14-24)26(22-9-5-20(3)6-10-22)17-18-27-31(28,29)25-15-7-21(4)8-16-25/h5-16,19,26-27H,17-18H2,1-4H3
InChIKeyHSYGQCPUNBUBRR-UHFFFAOYSA-N
MW437.61 g/mol
LogP5.59
Rot. Bonds9

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

4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide (PubChem CID 3739700) has the molecular formula C26H31NO3S and a molecular weight of 437.61 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
PubChem CID3739700
Molecular FormulaC26H31NO3S
Molecular Weight437.61 g/mol
Exact Mass437.20
IUPAC Name4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H31NO3S/c1-19(2)30-24-13-11-23(12-14-24)26(22-9-5-20(3)6-10-22)17-18-27-31(28,29)25-15-7-21(4)8-16-25/h5-16,19,26-27H,17-18H2,1-4H3
InChIKeyHSYGQCPUNBUBRR-UHFFFAOYSA-N
XLogP5.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzenesulfonamide
CID 25139967
4-methyl-N-[3-(4-nitrophenoxy)-3-phenylpropyl]benzenesulfonamide
CID 25139826
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277
N-[(3R)-3-(4-methoxyphenyl)-3-prop-2-enoxypropyl]-4-methylbenzenesulfonamide
CID 102381092
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide (CID 3739700) is 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide is Cc1ccc(C(CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
The InChIKey is HSYGQCPUNBUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3S/c1-19(2)30-24-13-11-23(12-14-24)26(22-9-5-20(3)6-10-22)17-18-27-31(28,29)25-15-7-21(4)8-16-25/h5-16,19,26-27H,17-18H2,1-4H3.
What are the key properties of 4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide?
4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide has a molecular weight of 437.61 g/mol, XLogP of 5.59, 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-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 3739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).