2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide

C19H23ClN2O3S — CID 113151118

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(18-7-5-6-15(2)12-18)19(23)14-21(26(3,24)25)13-16-8-10-17(20)11-9-16/h5-12H,4,13-14H2,1-3H3
InChIKeyNQJAZAWWNFSLJF-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.46
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113151118) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113151118
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(18-7-5-6-15(2)12-18)19(23)14-21(26(3,24)25)13-16-8-10-17(20)11-9-16/h5-12H,4,13-14H2,1-3H3
InChIKeyNQJAZAWWNFSLJF-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
CID 967645
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113154894
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 113151118) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is NQJAZAWWNFSLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-22(18-7-5-6-15(2)12-18)19(23)14-21(26(3,24)25)13-16-8-10-17(20)11-9-16/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).