(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide

C20H20N2O3S2 — CID 51936036

IUPAC(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
SMILESCc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-10-16(11-9-14)20-22-18(12-26-20)13-27(24,25)15(2)19(23)21-17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyUZCWZXGIOFXUSN-HNNXBMFYSA-N
MW400.53 g/mol
LogP4.06
Rot. Bonds6

About (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide

(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide (PubChem CID 51936036) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
PubChem CID51936036
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
SMILESCc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-10-16(11-9-14)20-22-18(12-26-20)13-27(24,25)15(2)19(23)21-17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyUZCWZXGIOFXUSN-HNNXBMFYSA-N
XLogP4.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
CID 112816880
N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
CID 112816877
N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808130
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 87040272
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815667
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581137
4-methyl-N-[3-methyl-1-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]butan-2-yl]benzamide
CID 78833218
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide (CID 51936036) is (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide is Cc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccccc3)cs2)cc1.
What is the InChIKey of (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide?
The InChIKey is UZCWZXGIOFXUSN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-8-10-16(11-9-14)20-22-18(12-26-20)13-27(24,25)15(2)19(23)21-17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide?
(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide has a molecular weight of 400.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide is sourced from PubChem (CID 51936036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).