4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide

C25H29NO5S — CID 156775716

IUPAC4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
SMILESCOc1cc(CCC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H29NO5S/c1-18-10-13-21(14-11-18)32(27,28)26-22(20-8-6-5-7-9-20)15-12-19-16-23(29-2)25(31-4)24(17-19)30-3/h5-11,13-14,16-17,22,26H,12,15H2,1-4H3
InChIKeyMFPYAOZLDLFJGC-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.67
Rot. Bonds10

About 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide

4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide (PubChem CID 156775716) has the molecular formula C25H29NO5S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
PubChem CID156775716
Molecular FormulaC25H29NO5S
Molecular Weight455.58 g/mol
Exact Mass455.18
IUPAC Name4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
SMILESCOc1cc(CCC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H29NO5S/c1-18-10-13-21(14-11-18)32(27,28)26-22(20-8-6-5-7-9-20)15-12-19-16-23(29-2)25(31-4)24(17-19)30-3/h5-11,13-14,16-17,22,26H,12,15H2,1-4H3
InChIKeyMFPYAOZLDLFJGC-UHFFFAOYSA-N
XLogP4.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 2797423
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide (CID 156775716) is 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide is COc1cc(CCC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide?
The InChIKey is MFPYAOZLDLFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5S/c1-18-10-13-21(14-11-18)32(27,28)26-22(20-8-6-5-7-9-20)15-12-19-16-23(29-2)25(31-4)24(17-19)30-3/h5-11,13-14,16-17,22,26H,12,15H2,1-4H3.
What are the key properties of 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide?
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 156775716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).