N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide

C20H27NO3S — CID 46778569

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H27NO3S/c1-15(2)13-20(18-9-11-19(24-4)12-10-18)21-25(22,23)14-17-7-5-16(3)6-8-17/h5-12,15,20-21H,13-14H2,1-4H3
InChIKeyMAPZRGSTGVRQLU-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.21
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide

N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 46778569) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID46778569
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H27NO3S/c1-15(2)13-20(18-9-11-19(24-4)12-10-18)21-25(22,23)14-17-7-5-16(3)6-8-17/h5-12,15,20-21H,13-14H2,1-4H3
InChIKeyMAPZRGSTGVRQLU-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]sulfamoylmethyl]benzoate
CID 93486713
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
methyl 4-[1-(4-methylphenyl)propylsulfamoylmethyl]benzoate
CID 46771538
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
CID 99959421
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
CID 93486915

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide (CID 46778569) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide is COc1ccc(C(CC(C)C)NS(=O)(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is MAPZRGSTGVRQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-15(2)13-20(18-9-11-19(24-4)12-10-18)21-25(22,23)14-17-7-5-16(3)6-8-17/h5-12,15,20-21H,13-14H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 46778569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).