2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide

C19H24N2O3S — CID 113067498

IUPAC2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-16-8-6-7-11-18(16)19(22)20-13-15-21(25(2,23)24)14-12-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyGITJRWMJNBFKKA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.23
Rot. Bonds8

About 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide

2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide (PubChem CID 113067498) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
PubChem CID113067498
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-16-8-6-7-11-18(16)19(22)20-13-15-21(25(2,23)24)14-12-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyGITJRWMJNBFKKA-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113067541
N-(3-benzylsulfonylpropyl)-2-methylbenzamide
CID 47055994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide (CID 113067498) is 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide is Cc1ccccc1C(=O)NCCN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide?
The InChIKey is GITJRWMJNBFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-8-6-7-11-18(16)19(22)20-13-15-21(25(2,23)24)14-12-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide?
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113067498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).