3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C19H24N2O2S2 — CID 87419086

IUPAC3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)c1ccc(C(C)(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H24N2O2S2/c1-19(13-14-5-3-4-6-14,17(22)21-18-20-11-12-24-18)15-7-9-16(10-8-15)25(2)23/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22)
InChIKeyMQQDODKGUQJWAC-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.36
Rot. Bonds6

About 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87419086) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87419086
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC Name3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)c1ccc(C(C)(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H24N2O2S2/c1-19(13-14-5-3-4-6-14,17(22)21-18-20-11-12-24-18)15-7-9-16(10-8-15)25(2)23/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22)
InChIKeyMQQDODKGUQJWAC-UHFFFAOYSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 145463971
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 87419086) is 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)c1ccc(C(C)(CC2CCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MQQDODKGUQJWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-19(13-14-5-3-4-6-14,17(22)21-18-20-11-12-24-18)15-7-9-16(10-8-15)25(2)23/h7-12,14H,3-6,13H2,1-2H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 376.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87419086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).