2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide

C20H26N2O4S2 — CID 53239136

IUPAC2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCc1sc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H26N2O4S2/c1-14-17(16-7-5-4-6-8-16)21-19(27-14)22-18(23)20(2,3)28(24,25)13-15-9-11-26-12-10-15/h4-8,15H,9-13H2,1-3H3,(H,21,22,23)
InChIKeyQITLIVGNEZVRNA-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide

2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide (PubChem CID 53239136) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide
PubChem CID53239136
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide
SMILESCc1sc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H26N2O4S2/c1-14-17(16-7-5-4-6-8-16)21-19(27-14)22-18(23)20(2,3)28(24,25)13-15-9-11-26-12-10-15/h4-8,15H,9-13H2,1-3H3,(H,21,22,23)
InChIKeyQITLIVGNEZVRNA-UHFFFAOYSA-N
XLogP3.68
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 25004712
N-(1,3-benzothiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide
CID 157193883
2-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 68878810
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-propylsulfonylpropanamide;N-(3-tert-butylphenyl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide;N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-methyl-2-propylsulfonylpropanamide;N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-methyl-2-propylsulfonylpropanamide;2-methyl-2-(oxan-4-ylmethylsulfonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 173123392
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
cis-(1R,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937188
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 59634279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide (CID 53239136) is 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide is Cc1sc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide?
The InChIKey is QITLIVGNEZVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-14-17(16-7-5-4-6-8-16)21-19(27-14)22-18(23)20(2,3)28(24,25)13-15-9-11-26-12-10-15/h4-8,15H,9-13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide?
2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(oxan-4-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 53239136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).