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

C17H19IN2O3S2 — CID 55760133

IUPAC3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C17H19IN2O3S2/c18-13-7-5-12(6-8-13)15-11-24-17(19-15)20-16(21)9-10-25(22,23)14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20,21)
InChIKeyIDUUSCFJKGTWGY-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.10
Rot. Bonds6

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

3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55760133) has the molecular formula C17H19IN2O3S2 and a molecular weight of 490.39 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55760133
Molecular FormulaC17H19IN2O3S2
Molecular Weight490.39 g/mol
Exact Mass489.99
IUPAC Name3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C17H19IN2O3S2/c18-13-7-5-12(6-8-13)15-11-24-17(19-15)20-16(21)9-10-25(22,23)14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20,21)
InChIKeyIDUUSCFJKGTWGY-UHFFFAOYSA-N
XLogP4.10
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 55757639
3-cyclopentylsulfonyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 55759416
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 55880683
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
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843932
2-cyclohexyloxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 167863923
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 55965522

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide (CID 55760133) is 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IDUUSCFJKGTWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S2/c18-13-7-5-12(6-8-13)15-11-24-17(19-15)20-16(21)9-10-25(22,23)14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,20,21).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide?
3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 490.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55760133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).