2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide

C20H24Cl2N2O3S — CID 126394882

IUPAC2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-7-15(2)23-20(25)14-24(13-16-10-11-17(21)12-19(16)22)28(26,27)18-8-5-4-6-9-18/h4-6,8-12,15H,3,7,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyUPXZFMBDIJFERD-HNNXBMFYSA-N
MW443.40 g/mol
LogP4.49
Rot. Bonds9

About 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide

2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 126394882) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
PubChem CID126394882
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-7-15(2)23-20(25)14-24(13-16-10-11-17(21)12-19(16)22)28(26,27)18-8-5-4-6-9-18/h4-6,8-12,15H,3,7,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyUPXZFMBDIJFERD-HNNXBMFYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 126275595
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126393830
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
CID 126269673
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380497
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864272
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874460
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401241
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126068186

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide (CID 126394882) is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is UPXZFMBDIJFERD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-3-7-15(2)23-20(25)14-24(13-16-10-11-17(21)12-19(16)22)28(26,27)18-8-5-4-6-9-18/h4-6,8-12,15H,3,7,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide?
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 443.40 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 126394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).