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

C24H25ClN2O3S — CID 126070154

IUPAC2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-12-14-22(15-13-18)31(29,30)27(16-21-10-6-7-11-23(21)25)17-24(28)26-19(2)20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyMZUBXKJKJOPKRP-IBGZPJMESA-N
MW457.00 g/mol
LogP4.72
Rot. Bonds8

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

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 126070154) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID126070154
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-12-14-22(15-13-18)31(29,30)27(16-21-10-6-7-11-23(21)25)17-24(28)26-19(2)20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyMZUBXKJKJOPKRP-IBGZPJMESA-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

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872110
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 126068242
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 126070154) is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is MZUBXKJKJOPKRP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-12-14-22(15-13-18)31(29,30)27(16-21-10-6-7-11-23(21)25)17-24(28)26-19(2)20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-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-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 126070154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).