N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide

C18H23NO3S — CID 133160247

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO3S/c1-5-17(15-8-11-18(22-4)14(3)12-15)19-23(20,21)16-9-6-13(2)7-10-16/h6-12,17,19H,5H2,1-4H3
InChIKeyNOTHXHQULNYUQP-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide (PubChem CID 133160247) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
PubChem CID133160247
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO3S/c1-5-17(15-8-11-18(22-4)14(3)12-15)19-23(20,21)16-9-6-13(2)7-10-16/h6-12,17,19H,5H2,1-4H3
InChIKeyNOTHXHQULNYUQP-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548940
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548932
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 1271809
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide (CID 133160247) is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is NOTHXHQULNYUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-17(15-8-11-18(22-4)14(3)12-15)19-23(20,21)16-9-6-13(2)7-10-16/h6-12,17,19H,5H2,1-4H3.
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 133160247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).