4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

C24H34N2O3S — CID 42708132

IUPAC4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCCCC2C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H34N2O3S/c1-20-8-10-22(11-9-20)19-26(18-6-17-25-16-5-4-7-21(25)2)30(27,28)24-14-12-23(29-3)13-15-24/h8-15,21H,4-7,16-19H2,1-3H3
InChIKeyWOCQTQZSLGZPAD-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.46
Rot. Bonds9

About 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 42708132) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID42708132
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCCCC2C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H34N2O3S/c1-20-8-10-22(11-9-20)19-26(18-6-17-25-16-5-4-7-21(25)2)30(27,28)24-14-12-23(29-3)13-15-24/h8-15,21H,4-7,16-19H2,1-3H3
InChIKeyWOCQTQZSLGZPAD-UHFFFAOYSA-N
XLogP4.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide
CID 42708114
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
4-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 92503869
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
3-(4-methoxyphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 42703465
N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036162
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
N-(2-methoxyethyl)-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 68595832

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 42708132) is 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCCCC2C)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is WOCQTQZSLGZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-20-8-10-22(11-9-20)19-26(18-6-17-25-16-5-4-7-21(25)2)30(27,28)24-14-12-23(29-3)13-15-24/h8-15,21H,4-7,16-19H2,1-3H3.
What are the key properties of 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 430.61 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 42708132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).