2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane

C19H25BrN2O3S2 — CID 162198368

IUPAC2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
SMILESC.CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C18H21BrN2O3S2.CH4/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18;/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22);1H4
InChIKeyZRGDTYDQQDDKMN-UHFFFAOYSA-N
MW473.46 g/mol
LogP5.25
Rot. Bonds6

About 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane

2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane (PubChem CID 162198368) has the molecular formula C19H25BrN2O3S2 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane.

Molecular Properties

Compound Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
PubChem CID162198368
Molecular FormulaC19H25BrN2O3S2
Molecular Weight473.46 g/mol
Exact Mass472.05
IUPAC Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
SMILESC.CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C18H21BrN2O3S2.CH4/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18;/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22);1H4
InChIKeyZRGDTYDQQDDKMN-UHFFFAOYSA-N
XLogP5.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
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methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
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3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
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2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
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2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane?
The IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane (CID 162198368) is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane.
What is the SMILES notation for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane?
The canonical SMILES for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane is C.CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane?
The InChIKey is ZRGDTYDQQDDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S2.CH4/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18;/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22);1H4.
What are the key properties of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane?
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane has a molecular weight of 473.46 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane is sourced from PubChem (CID 162198368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).