4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide

C15H21ClN2O3S — CID 97225450

IUPAC4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)C[S@](=O)CCCC(=O)N(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-11-6-7-12(16)9-13(11)17-14(19)10-22(21)8-4-5-15(20)18(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19)/t22-/m1/s1
InChIKeyLHUPMXYYWGFMBZ-JOCHJYFZSA-N
MW344.86 g/mol
LogP2.20
Rot. Bonds7

About 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide

4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide (PubChem CID 97225450) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
PubChem CID97225450
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)C[S@](=O)CCCC(=O)N(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-11-6-7-12(16)9-13(11)17-14(19)10-22(21)8-4-5-15(20)18(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19)/t22-/m1/s1
InChIKeyLHUPMXYYWGFMBZ-JOCHJYFZSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide 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

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
CID 97340008
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123109615
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide
CID 119045553
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide (CID 97225450) is 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide is Cc1ccc(Cl)cc1NC(=O)C[S@](=O)CCCC(=O)N(C)C.
What is the InChIKey of 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide?
The InChIKey is LHUPMXYYWGFMBZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11-6-7-12(16)9-13(11)17-14(19)10-22(21)8-4-5-15(20)18(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,19)/t22-/m1/s1.
What are the key properties of 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide?
4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide has a molecular weight of 344.86 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide is sourced from PubChem (CID 97225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).