2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C24H24Cl2N2O4S — CID 43893493

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-17-11-13-19(14-12-17)32-16-18(2)27-23(29)15-28(22-10-6-9-21(25)24(22)26)33(30,31)20-7-4-3-5-8-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)
InChIKeyINYUJIILHMWZHR-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.08
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43893493) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID43893493
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-17-11-13-19(14-12-17)32-16-18(2)27-23(29)15-28(22-10-6-9-21(25)24(22)26)33(30,31)20-7-4-3-5-8-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)
InChIKeyINYUJIILHMWZHR-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43891983
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902063
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43899060
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100772312
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 43893493) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is INYUJIILHMWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-17-11-13-19(14-12-17)32-16-18(2)27-23(29)15-28(22-10-6-9-21(25)24(22)26)33(30,31)20-7-4-3-5-8-20/h3-14,18H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 507.44 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43893493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).