N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide

C13H18Cl2N2O3S — CID 22301237

IUPACN-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(Cl)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-4-7-16-11(18)8-17-10-6-5-9(14)12(15)13(10)21(2,19)20/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyWOOZDAUDGWJMIX-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.73
Rot. Bonds7

About N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide

N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide (PubChem CID 22301237) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide
PubChem CID22301237
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(Cl)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-4-7-16-11(18)8-17-10-6-5-9(14)12(15)13(10)21(2,19)20/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyWOOZDAUDGWJMIX-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779696
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-(4-bromoanilino)-N-butylacetamide
CID 39385109

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide?
The IUPAC name of N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide (CID 22301237) is N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide is CCCCNC(=O)CNc1ccc(Cl)c(Cl)c1S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide?
The InChIKey is WOOZDAUDGWJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-3-4-7-16-11(18)8-17-10-6-5-9(14)12(15)13(10)21(2,19)20/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide?
N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide has a molecular weight of 353.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22301237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).