(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

C20H21ClN2O2S — CID 8750258

IUPAC(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-13-5-4-6-18(11-13)25-15(3)19(24)23(20-22-14(2)12-26-20)17-9-7-16(21)8-10-17/h4-11,14-15H,12H2,1-3H3/t14-,15+/m0/s1
InChIKeyKKARULXJFQXFOG-LSDHHAIUSA-N
MW388.92 g/mol
LogP4.94
Rot. Bonds4

About (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 8750258) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID8750258
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-13-5-4-6-18(11-13)25-15(3)19(24)23(20-22-14(2)12-26-20)17-9-7-16(21)8-10-17/h4-11,14-15H,12H2,1-3H3/t14-,15+/m0/s1
InChIKeyKKARULXJFQXFOG-LSDHHAIUSA-N
XLogP4.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide
CID 124886781
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)propanoate
CID 3646582
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 18105488
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (CID 8750258) is (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is KKARULXJFQXFOG-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-13-5-4-6-18(11-13)25-15(3)19(24)23(20-22-14(2)12-26-20)17-9-7-16(21)8-10-17/h4-11,14-15H,12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 388.92 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 8750258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).