(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide

C19H31ClN2O4S — CID 125065052

IUPAC(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H31ClN2O4S/c1-6-8-9-15(7-2)13-21-19(23)14(3)22(27(5,24)25)17-12-16(20)10-11-18(17)26-4/h10-12,14-15H,6-9,13H2,1-5H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJMUUBMDSRJWSOL-GJZGRUSLSA-N
MW418.99 g/mol
LogP3.84
Rot. Bonds11

About (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide (PubChem CID 125065052) has the molecular formula C19H31ClN2O4S and a molecular weight of 418.99 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
PubChem CID125065052
Molecular FormulaC19H31ClN2O4S
Molecular Weight418.99 g/mol
Exact Mass418.17
IUPAC Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H31ClN2O4S/c1-6-8-9-15(7-2)13-21-19(23)14(3)22(27(5,24)25)17-12-16(20)10-11-18(17)26-4/h10-12,14-15H,6-9,13H2,1-5H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJMUUBMDSRJWSOL-GJZGRUSLSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133185231
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53281583
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide?
The IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide (CID 125065052) is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide is CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide?
The InChIKey is JMUUBMDSRJWSOL-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H31ClN2O4S/c1-6-8-9-15(7-2)13-21-19(23)14(3)22(27(5,24)25)17-12-16(20)10-11-18(17)26-4/h10-12,14-15H,6-9,13H2,1-5H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide?
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide has a molecular weight of 418.99 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide is sourced from PubChem (CID 125065052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).