N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide

C17H21NO3S — CID 92672631

IUPACN-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO3S/c1-3-21-17-9-5-7-15(11-17)12-18-22(19,20)13-16-8-4-6-14(2)10-16/h4-11,18H,3,12-13H2,1-2H3
InChIKeyUTALKEVQRRCJNJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.01
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide

N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 92672631) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID92672631
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO3S/c1-3-21-17-9-5-7-15(11-17)12-18-22(19,20)13-16-8-4-6-14(2)10-16/h4-11,18H,3,12-13H2,1-2H3
InChIKeyUTALKEVQRRCJNJ-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
CID 107650948
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide (CID 92672631) is N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide is CCOc1cccc(CNS(=O)(=O)Cc2cccc(C)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is UTALKEVQRRCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-21-17-9-5-7-15(11-17)12-18-22(19,20)13-16-8-4-6-14(2)10-16/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 92672631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).