2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

C25H27ClN2O3S — CID 43886521

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-24(20-10-8-18(2)9-11-20)27-25(29)17-28(22-7-5-6-19(3)16-22)32(30,31)23-14-12-21(26)13-15-23/h5-16,24H,4,17H2,1-3H3,(H,27,29)
InChIKeyFTCWTQYKVMDKMK-UHFFFAOYSA-N
MW471.02 g/mol
LogP5.42
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 43886521) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID43886521
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-24(20-10-8-18(2)9-11-20)27-25(29)17-28(22-7-5-6-19(3)16-22)32(30,31)23-14-12-21(26)13-15-23/h5-16,24H,4,17H2,1-3H3,(H,27,29)
InChIKeyFTCWTQYKVMDKMK-UHFFFAOYSA-N
XLogP5.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43908428
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894026
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 30306136
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133210176
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 28567224

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (CID 43886521) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is FTCWTQYKVMDKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-4-24(20-10-8-18(2)9-11-20)27-25(29)17-28(22-7-5-6-19(3)16-22)32(30,31)23-14-12-21(26)13-15-23/h5-16,24H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 43886521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).