N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C19H26FN3O5S2 — CID 45356009

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26FN3O5S2/c20-15-1-5-18(6-2-15)30(27,28)22-10-8-21(9-11-22)13-19(24)23(16-3-4-16)17-7-12-29(25,26)14-17/h1-2,5-6,16-17H,3-4,7-14H2
InChIKeyKOGTZLLWZKVZMK-UHFFFAOYSA-N
MW459.57 g/mol
LogP0.31
Rot. Bonds6

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 45356009) has the molecular formula C19H26FN3O5S2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID45356009
Molecular FormulaC19H26FN3O5S2
Molecular Weight459.57 g/mol
Exact Mass459.13
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26FN3O5S2/c20-15-1-5-18(6-2-15)30(27,28)22-10-8-21(9-11-22)13-19(24)23(16-3-4-16)17-7-12-29(25,26)14-17/h1-2,5-6,16-17H,3-4,7-14H2
InChIKeyKOGTZLLWZKVZMK-UHFFFAOYSA-N
XLogP0.31
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063733
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42913629
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747656
N-cyclohexyl-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55680227
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 26707908
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 45356009) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is KOGTZLLWZKVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5S2/c20-15-1-5-18(6-2-15)30(27,28)22-10-8-21(9-11-22)13-19(24)23(16-3-4-16)17-7-12-29(25,26)14-17/h1-2,5-6,16-17H,3-4,7-14H2.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 45356009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).