2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide

C24H25ClN2O3S — CID 126068242

IUPAC2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-11-13-23(14-12-18)31(29,30)27(16-20-7-6-10-22(25)15-20)17-24(28)26-19(2)21-8-4-3-5-9-21/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyJHAKAUHBLVUVQA-LJQANCHMSA-N
MW457.00 g/mol
LogP4.72
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 126068242) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID126068242
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-11-13-23(14-12-18)31(29,30)27(16-20-7-6-10-22(25)15-20)17-24(28)26-19(2)21-8-4-3-5-9-21/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyJHAKAUHBLVUVQA-LJQANCHMSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30401273
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 94861179
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43871665
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
CID 94861224
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide (CID 126068242) is 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is JHAKAUHBLVUVQA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-11-13-23(14-12-18)31(29,30)27(16-20-7-6-10-22(25)15-20)17-24(28)26-19(2)21-8-4-3-5-9-21/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 126068242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).