(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H18ClN3O3S — CID 8502344

IUPAC(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2C)no1
InChIInChI=1S/C16H18ClN3O3S/c1-9-4-5-12(17)7-13(9)18-15(21)8-24-11(3)16(22)19-14-6-10(2)23-20-14/h4-7,11H,8H2,1-3H3,(H,18,21)(H,19,20,22)/t11-/m1/s1
InChIKeyCFWGUUYSGCHXAM-LLVKDONJSA-N
MW367.86 g/mol
LogP3.64
Rot. Bonds6

About (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 8502344) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID8502344
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2C)no1
InChIInChI=1S/C16H18ClN3O3S/c1-9-4-5-12(17)7-13(9)18-15(21)8-24-11(3)16(22)19-14-6-10(2)23-20-14/h4-7,11H,8H2,1-3H3,(H,18,21)(H,19,20,22)/t11-/m1/s1
InChIKeyCFWGUUYSGCHXAM-LLVKDONJSA-N
XLogP3.64
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)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

methyl 4-methyl-3-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate
CID 7920456
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
(2R)-N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 34508270
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
(2R)-2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34274678
2-[2-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46797499
2-[2-[3-(methylamino)propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119434077
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylpropanamide
CID 40882881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 8502344) is (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2C)no1.
What is the InChIKey of (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CFWGUUYSGCHXAM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-9-4-5-12(17)7-13(9)18-15(21)8-24-11(3)16(22)19-14-6-10(2)23-20-14/h4-7,11H,8H2,1-3H3,(H,18,21)(H,19,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 367.86 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 8502344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).