2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C24H24Cl2N2O4S — CID 30242862

IUPAC2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-3-23(17-7-11-21(32-2)12-8-17)27-24(29)16-28(20-6-4-5-19(26)15-20)33(30,31)22-13-9-18(25)10-14-22/h4-15,23H,3,16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyQSRWRKFJDPWFIV-HSZRJFAPSA-N
MW507.44 g/mol
LogP5.46
Rot. Bonds9

About 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30242862) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID30242862
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-3-23(17-7-11-21(32-2)12-8-17)27-24(29)16-28(20-6-4-5-19(26)15-20)33(30,31)22-13-9-18(25)10-14-22/h4-15,23H,3,16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyQSRWRKFJDPWFIV-HSZRJFAPSA-N
XLogP5.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43908428
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43894621
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43897993
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43886521
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 2225967
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647335
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894026
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28576788

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 30242862) is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is QSRWRKFJDPWFIV-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-3-23(17-7-11-21(32-2)12-8-17)27-24(29)16-28(20-6-4-5-19(26)15-20)33(30,31)22-13-9-18(25)10-14-22/h4-15,23H,3,16H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 507.44 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30242862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).