(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H14Cl2N2O3S — CID 52521050

IUPAC(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3S/c1-8-6-13(18-21-8)17-14(19)9(2)22(20)7-10-11(15)4-3-5-12(10)16/h3-6,9H,7H2,1-2H3,(H,17,18,19)/t9-,22+/m1/s1
InChIKeySRHKNRGFBGYFLU-CLTRCRFRSA-N
MW361.25 g/mol
LogP3.57
Rot. Bonds5

About (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 52521050) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID52521050
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3S/c1-8-6-13(18-21-8)17-14(19)9(2)22(20)7-10-11(15)4-3-5-12(10)16/h3-6,9H,7H2,1-2H3,(H,17,18,19)/t9-,22+/m1/s1
InChIKeySRHKNRGFBGYFLU-CLTRCRFRSA-N
XLogP3.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51076787
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
(2S)-2-[(3-chlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94199759
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 52521050) is (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(Cl)cccc2Cl)no1.
What is the InChIKey of (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is SRHKNRGFBGYFLU-CLTRCRFRSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-8-6-13(18-21-8)17-14(19)9(2)22(20)7-10-11(15)4-3-5-12(10)16/h3-6,9H,7H2,1-2H3,(H,17,18,19)/t9-,22+/m1/s1.
What are the key properties of (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 361.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 52521050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).