N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C19H21Cl2FN2O3S — CID 60566227

IUPACN-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NCCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21Cl2FN2O3S/c1-24(28(26,27)15-9-7-14(22)8-10-15)13-3-6-19(25)23-12-11-16-17(20)4-2-5-18(16)21/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,25)
InChIKeyDHDUQMKMGIXZGJ-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.89
Rot. Bonds9

About N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 60566227) has the molecular formula C19H21Cl2FN2O3S and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID60566227
Molecular FormulaC19H21Cl2FN2O3S
Molecular Weight447.36 g/mol
Exact Mass446.06
IUPAC NameN-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NCCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21Cl2FN2O3S/c1-24(28(26,27)15-9-7-14(22)8-10-15)13-3-6-19(25)23-12-11-16-17(20)4-2-5-18(16)21/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,25)
InChIKeyDHDUQMKMGIXZGJ-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
2-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]ethylsulfanyl]acetic acid
CID 119241419
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119534229
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 60566227) is N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)NCCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is DHDUQMKMGIXZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O3S/c1-24(28(26,27)15-9-7-14(22)8-10-15)13-3-6-19(25)23-12-11-16-17(20)4-2-5-18(16)21/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 447.36 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 60566227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).