1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene

C15H26N2O3S — CID 75472854

IUPAC1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene
SMILESCCC(NS(=O)(=O)N(C)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-6-15(13-7-9-14(20-5)10-8-13)16-21(18,19)17(4)11-12(2)3/h7-10,12,15-16H,6,11H2,1-5H3
InChIKeyXENNCIAKGVYIMM-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.57
Rot. Bonds8

About 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene

1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene (PubChem CID 75472854) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene
PubChem CID75472854
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene
SMILESCCC(NS(=O)(=O)N(C)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-6-15(13-7-9-14(20-5)10-8-13)16-21(18,19)17(4)11-12(2)3/h7-10,12,15-16H,6,11H2,1-5H3
InChIKeyXENNCIAKGVYIMM-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene?
The IUPAC name of 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene (CID 75472854) is 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene is CCC(NS(=O)(=O)N(C)CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene?
The InChIKey is XENNCIAKGVYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-15(13-7-9-14(20-5)10-8-13)16-21(18,19)17(4)11-12(2)3/h7-10,12,15-16H,6,11H2,1-5H3.
What are the key properties of 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene?
1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene has a molecular weight of 314.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene is sourced from PubChem (CID 75472854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).