N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide

C17H21NO2S — CID 110288627

IUPACN-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-15-6-5-9-17(14-15)10-12-18-21(19,20)13-11-16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3
InChIKeyYMUUGMRPBQFFLQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide

N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110288627) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
PubChem CID110288627
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-15-6-5-9-17(14-15)10-12-18-21(19,20)13-11-16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3
InChIKeyYMUUGMRPBQFFLQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 55062668
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
2-(3-methylphenyl)ethanesulfonic acid
CID 87590537
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112996509
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-phenylethanesulfonamide
CID 110791022
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739412

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide (CID 110288627) is N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide is Cc1cccc(CCNS(=O)(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is YMUUGMRPBQFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-15-6-5-9-17(14-15)10-12-18-21(19,20)13-11-16-7-3-2-4-8-16/h2-9,14,18H,10-13H2,1H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide?
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110288627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).