4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide

C19H22Cl2N2O3S — CID 21366899

IUPAC4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-3-14-7-4-5-8-17(14)22-19(24)9-6-12-23(27(2,25)26)18-13-15(20)10-11-16(18)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyQOEVJBINNZDXLP-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.74
Rot. Bonds8

About 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide

4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide (PubChem CID 21366899) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
PubChem CID21366899
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-3-14-7-4-5-8-17(14)22-19(24)9-6-12-23(27(2,25)26)18-13-15(20)10-11-16(18)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyQOEVJBINNZDXLP-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 21367523
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
CID 43909078
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
ethyl 4-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 21368330
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide (CID 21366899) is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
The InChIKey is QOEVJBINNZDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-3-14-7-4-5-8-17(14)22-19(24)9-6-12-23(27(2,25)26)18-13-15(20)10-11-16(18)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide?
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide has a molecular weight of 429.37 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 21366899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).