(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide

C22H24ClN3O3S2 — CID 25496619

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C22H24ClN3O3S2/c1-30-15-12-20(26-31(28,29)19-9-7-18(23)8-10-19)22(27)25-14-11-17-5-2-4-16-6-3-13-24-21(16)17/h2-10,13,20,26H,11-12,14-15H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyUZFNVHVFVIBNGK-HXUWFJFHSA-N
MW478.04 g/mol
LogP3.65
Rot. Bonds10

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide (PubChem CID 25496619) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide
PubChem CID25496619
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C22H24ClN3O3S2/c1-30-15-12-20(26-31(28,29)19-9-7-18(23)8-10-19)22(27)25-14-11-17-5-2-4-16-6-3-13-24-21(16)17/h2-10,13,20,26H,11-12,14-15H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyUZFNVHVFVIBNGK-HXUWFJFHSA-N
XLogP3.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 24551133
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 41082020
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]-4-methylsulfanylbutanoate
CID 5055809
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide
CID 41093609
3-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid
CID 19032733
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316
N-[4-(4-chloroanilino)-4-oxobutyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55863608

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide (CID 25496619) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide is CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide?
The InChIKey is UZFNVHVFVIBNGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-30-15-12-20(26-31(28,29)19-9-7-18(23)8-10-19)22(27)25-14-11-17-5-2-4-16-6-3-13-24-21(16)17/h2-10,13,20,26H,11-12,14-15H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide has a molecular weight of 478.04 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-quinolin-8-ylethyl)butanamide is sourced from PubChem (CID 25496619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).