(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

C19H20Cl2F2N2O3S — CID 27797220

IUPAC(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C19H20Cl2F2N2O3S/c1-10(2)17(25-29(27,28)18-14(20)5-4-6-15(18)21)19(26)24-11(3)13-8-7-12(22)9-16(13)23/h4-11,17,25H,1-3H3,(H,24,26)/t11-,17+/m1/s1
InChIKeyDNMCCTXZZVBRJY-DIFFPNOSSA-N
MW465.35 g/mol
LogP4.45
Rot. Bonds7

About (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (PubChem CID 27797220) has the molecular formula C19H20Cl2F2N2O3S and a molecular weight of 465.35 g/mol. Its IUPAC name is (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
PubChem CID27797220
Molecular FormulaC19H20Cl2F2N2O3S
Molecular Weight465.35 g/mol
Exact Mass464.05
IUPAC Name(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C19H20Cl2F2N2O3S/c1-10(2)17(25-29(27,28)18-14(20)5-4-6-15(18)21)19(26)24-11(3)13-8-7-12(22)9-16(13)23/h4-11,17,25H,1-3H3,(H,24,26)/t11-,17+/m1/s1
InChIKeyDNMCCTXZZVBRJY-DIFFPNOSSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067838
2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31666442
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55331452
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (CID 27797220) is (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is DNMCCTXZZVBRJY-DIFFPNOSSA-N. The full InChI is InChI=1S/C19H20Cl2F2N2O3S/c1-10(2)17(25-29(27,28)18-14(20)5-4-6-15(18)21)19(26)24-11(3)13-8-7-12(22)9-16(13)23/h4-11,17,25H,1-3H3,(H,24,26)/t11-,17+/m1/s1.
What are the key properties of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 465.35 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 27797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).