N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

C19H23ClN2O3S — CID 125062230

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-6-14(2)18(11-13)26(24,25)22(4)12-19(23)21-15(3)16-7-9-17(20)10-8-16/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyHTYGVHHVNRNGFY-OAHLLOKOSA-N
MW394.92 g/mol
LogP3.45
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 125062230) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID125062230
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-6-14(2)18(11-13)26(24,25)22(4)12-19(23)21-15(3)16-7-9-17(20)10-8-16/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyHTYGVHHVNRNGFY-OAHLLOKOSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546094
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546100
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 125062230) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is HTYGVHHVNRNGFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-5-6-14(2)18(11-13)26(24,25)22(4)12-19(23)21-15(3)16-7-9-17(20)10-8-16/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 125062230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).