(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide

C19H18N2O4S2 — CID 9246541

IUPAC(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13(25-15-6-4-3-5-7-15)18(22)21-19-20-17(12-26-19)14-8-10-16(11-9-14)27(2,23)24/h3-13H,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyTUQGCHZIHFBPCA-CYBMUJFWSA-N
MW402.50 g/mol
LogP3.62
Rot. Bonds6

About (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide

(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide (PubChem CID 9246541) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
PubChem CID9246541
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13(25-15-6-4-3-5-7-15)18(22)21-19-20-17(12-26-19)14-8-10-16(11-9-14)27(2,23)24/h3-13H,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyTUQGCHZIHFBPCA-CYBMUJFWSA-N
XLogP3.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
methyl 4-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 46539489
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide (CID 9246541) is (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is TUQGCHZIHFBPCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-13(25-15-6-4-3-5-7-15)18(22)21-19-20-17(12-26-19)14-8-10-16(11-9-14)27(2,23)24/h3-13H,1-2H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 402.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 9246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).