4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide

C19H26N2O3S — CID 46993961

IUPAC4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide
SMILESCCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1OC
InChIInChI=1S/C19H26N2O3S/c1-4-13-21(15-17-7-5-6-8-19(17)24-3)14-16-9-11-18(12-10-16)25(22,23)20-2/h5-12,20H,4,13-15H2,1-3H3
InChIKeyGYKUABVGCVFBCM-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.02
Rot. Bonds9

About 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide

4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide (PubChem CID 46993961) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide
PubChem CID46993961
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide
SMILESCCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1OC
InChIInChI=1S/C19H26N2O3S/c1-4-13-21(15-17-7-5-6-8-19(17)24-3)14-16-9-11-18(12-10-16)25(22,23)20-2/h5-12,20H,4,13-15H2,1-3H3
InChIKeyGYKUABVGCVFBCM-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide (CID 46993961) is 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide is CCCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1OC.
What is the InChIKey of 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is GYKUABVGCVFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-13-21(15-17-7-5-6-8-19(17)24-3)14-16-9-11-18(12-10-16)25(22,23)20-2/h5-12,20H,4,13-15H2,1-3H3.
What are the key properties of 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide?
4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenyl)methyl-propylamino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 46993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).