N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide

C19H23ClN2O3S — CID 113067030

IUPACN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15-6-5-7-16(12-15)13-19(23)21-10-11-22(26(2,24)25)14-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyOAKIBIJCQYGSEF-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.77
Rot. Bonds8

About N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113067030) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113067030
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15-6-5-7-16(12-15)13-19(23)21-10-11-22(26(2,24)25)14-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyOAKIBIJCQYGSEF-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113063810
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide (CID 113067030) is N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is OAKIBIJCQYGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15-6-5-7-16(12-15)13-19(23)21-10-11-22(26(2,24)25)14-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113067030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).