N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C20H23FN2O3S3 — CID 112795271

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H23FN2O3S3/c21-15-7-5-14(6-8-15)18-11-27-20(22-18)28-12-19(24)23(16-3-1-2-4-16)17-9-10-29(25,26)13-17/h5-8,11,16-17H,1-4,9-10,12-13H2
InChIKeyNERVYEVYWSNEQH-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.00
Rot. Bonds6

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 112795271) has the molecular formula C20H23FN2O3S3 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID112795271
Molecular FormulaC20H23FN2O3S3
Molecular Weight454.61 g/mol
Exact Mass454.09
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H23FN2O3S3/c21-15-7-5-14(6-8-15)18-11-27-20(22-18)28-12-19(24)23(16-3-1-2-4-16)17-9-10-29(25,26)13-17/h5-8,11,16-17H,1-4,9-10,12-13H2
InChIKeyNERVYEVYWSNEQH-UHFFFAOYSA-N
XLogP4.00
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591206
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112778383
2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55390046
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785152
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 31613631
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 41291794
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41082668

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 112795271) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccc(F)cc2)cs1)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is NERVYEVYWSNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S3/c21-15-7-5-14(6-8-15)18-11-27-20(22-18)28-12-19(24)23(16-3-1-2-4-16)17-9-10-29(25,26)13-17/h5-8,11,16-17H,1-4,9-10,12-13H2.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 454.61 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 112795271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).