(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide

C20H24Cl2N2O3S2 — CID 41082020

IUPAC(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1C
InChIInChI=1S/C20H24Cl2N2O3S2/c1-14-5-3-4-6-15(14)9-11-23-20(25)19(10-12-28-2)24-29(26,27)16-7-8-17(21)18(22)13-16/h3-8,13,19,24H,9-12H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyMZFXPGNAAWTFKE-IBGZPJMESA-N
MW475.46 g/mol
LogP4.06
Rot. Bonds10

About (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide

(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 41082020) has the molecular formula C20H24Cl2N2O3S2 and a molecular weight of 475.46 g/mol. Its IUPAC name is (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID41082020
Molecular FormulaC20H24Cl2N2O3S2
Molecular Weight475.46 g/mol
Exact Mass474.06
IUPAC Name(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1C
InChIInChI=1S/C20H24Cl2N2O3S2/c1-14-5-3-4-6-15(14)9-11-23-20(25)19(10-12-28-2)24-29(26,27)16-7-8-17(21)18(22)13-16/h3-8,13,19,24H,9-12H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyMZFXPGNAAWTFKE-IBGZPJMESA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2427322
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide
CID 25496619
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 28828984
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide
CID 41093609
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629918
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55517733
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide (CID 41082020) is (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide is CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1C.
What is the InChIKey of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is MZFXPGNAAWTFKE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S2/c1-14-5-3-4-6-15(14)9-11-23-20(25)19(10-12-28-2)24-29(26,27)16-7-8-17(21)18(22)13-16/h3-8,13,19,24H,9-12H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 475.46 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 41082020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).