N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

C20H30N4O5S2 — CID 43063733

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N4O5S2/c25-20(24(17-4-1-2-5-17)18-7-13-30(26,27)16-18)15-22-9-11-23(12-10-22)31(28,29)19-6-3-8-21-14-19/h3,6,8,14,17-18H,1-2,4-5,7,9-13,15-16H2
InChIKeyLWPXCHMBXBPXJO-UHFFFAOYSA-N
MW470.62 g/mol
LogP0.35
Rot. Bonds6

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 43063733) has the molecular formula C20H30N4O5S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID43063733
Molecular FormulaC20H30N4O5S2
Molecular Weight470.62 g/mol
Exact Mass470.17
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N4O5S2/c25-20(24(17-4-1-2-5-17)18-7-13-30(26,27)16-18)15-22-9-11-23(12-10-22)31(28,29)19-6-3-8-21-14-19/h3,6,8,14,17-18H,1-2,4-5,7,9-13,15-16H2
InChIKeyLWPXCHMBXBPXJO-UHFFFAOYSA-N
XLogP0.35
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 45356009
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78896837
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30633266
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 55680100
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42913629
N-cyclopentyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41088504
tert-butyl 4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55482342

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (CID 43063733) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is LWPXCHMBXBPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S2/c25-20(24(17-4-1-2-5-17)18-7-13-30(26,27)16-18)15-22-9-11-23(12-10-22)31(28,29)19-6-3-8-21-14-19/h3,6,8,14,17-18H,1-2,4-5,7,9-13,15-16H2.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 470.62 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43063733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).