N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C19H23ClN2O3S — CID 126128117

IUPACN-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(17-7-5-6-16(20)13-17)26(24,25)18-10-8-15(2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyWOOQPSKTNLFFKW-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.76
Rot. Bonds8

About N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126128117) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126128117
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(17-7-5-6-16(20)13-17)26(24,25)18-10-8-15(2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyWOOQPSKTNLFFKW-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.76
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

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126317365
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-butylacetamide
CID 126116858
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30213817
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43894004
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30213762
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30242800
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126033568
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126128117) is N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is CCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WOOQPSKTNLFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(17-7-5-6-16(20)13-17)26(24,25)18-10-8-15(2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23).
What are the key properties of N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).