3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide

C18H22N2O3S3 — CID 55757639

IUPAC3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCSc1ccc(-c2csc(NC(=O)CCS(=O)(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C18H22N2O3S3/c1-24-14-8-6-13(7-9-14)16-12-25-18(19-16)20-17(21)10-11-26(22,23)15-4-2-3-5-15/h6-9,12,15H,2-5,10-11H2,1H3,(H,19,20,21)
InChIKeySLYPTABDEYKQSB-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.22
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide

3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55757639) has the molecular formula C18H22N2O3S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55757639
Molecular FormulaC18H22N2O3S3
Molecular Weight410.59 g/mol
Exact Mass410.08
IUPAC Name3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCSc1ccc(-c2csc(NC(=O)CCS(=O)(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C18H22N2O3S3/c1-24-14-8-6-13(7-9-14)16-12-25-18(19-16)20-17(21)10-11-26(22,23)15-4-2-3-5-15/h6-9,12,15H,2-5,10-11H2,1H3,(H,19,20,21)
InChIKeySLYPTABDEYKQSB-UHFFFAOYSA-N
XLogP4.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 55760133
3-cyclopentylsulfonyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 55759416
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 51531479
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
2-(4-methylsulfanylphenyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41126327
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide (CID 55757639) is 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide is CSc1ccc(-c2csc(NC(=O)CCS(=O)(=O)C3CCCC3)n2)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SLYPTABDEYKQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S3/c1-24-14-8-6-13(7-9-14)16-12-25-18(19-16)20-17(21)10-11-26(22,23)15-4-2-3-5-15/h6-9,12,15H,2-5,10-11H2,1H3,(H,19,20,21).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide?
3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 410.59 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55757639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).