2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide

C20H24Cl2N2O3S — CID 126317365

IUPAC2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-4-5-10-23-20(25)14-24(18-12-16(21)11-17(22)13-18)28(26,27)19-8-6-15(2)7-9-19/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,23,25)
InChIKeyDWRYEUKGNXCOIZ-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.80
Rot. Bonds9

About 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide (PubChem CID 126317365) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
PubChem CID126317365
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-4-5-10-23-20(25)14-24(18-12-16(21)11-17(22)13-18)28(26,27)19-8-6-15(2)7-9-19/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,23,25)
InChIKeyDWRYEUKGNXCOIZ-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126413358
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51344401
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126260091
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344397
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43894587
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133241754
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 28631760
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-butylacetamide
CID 126116858
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30306959
N-cyclopropyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344423

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide (CID 126317365) is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
The InChIKey is DWRYEUKGNXCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-3-4-5-10-23-20(25)14-24(18-12-16(21)11-17(22)13-18)28(26,27)19-8-6-15(2)7-9-19/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide?
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide has a molecular weight of 443.40 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide is sourced from PubChem (CID 126317365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).