N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide

C18H23NO3S — CID 51249152

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)18(16-9-11-17(22-3)12-10-16)19-23(20,21)13-15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeyBMMZQIIPXNTBEJ-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.51
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide (PubChem CID 51249152) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
PubChem CID51249152
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)18(16-9-11-17(22-3)12-10-16)19-23(20,21)13-15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeyBMMZQIIPXNTBEJ-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 112503701
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 33038839
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
CID 97307677
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide (CID 51249152) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide is COc1ccc(C(NS(=O)(=O)Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide?
The InChIKey is BMMZQIIPXNTBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(2)18(16-9-11-17(22-3)12-10-16)19-23(20,21)13-15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 51249152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).