N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide

C17H25N3O5S — CID 109026593

IUPACN-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
SMILESCN(C(=O)CCN1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25N3O5S/c1-18(14-5-12-26(23,24)13-14)16(21)4-6-19-7-9-20(10-8-19)17(22)15-3-2-11-25-15/h2-3,11,14H,4-10,12-13H2,1H3
InChIKeyLWSQOGWCWPTAKA-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.07
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 109026593) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID109026593
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
SMILESCN(C(=O)CCN1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25N3O5S/c1-18(14-5-12-26(23,24)13-14)16(21)4-6-19-7-9-20(10-8-19)17(22)15-3-2-11-25-15/h2-3,11,14H,4-10,12-13H2,1H3
InChIKeyLWSQOGWCWPTAKA-UHFFFAOYSA-N
XLogP0.07
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108989783
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527228
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-(1,1-dioxothiolan-3-yl)-3-(4-formylpiperazin-1-yl)-N-methylpropanamide
CID 109017967
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
N-(1,1-dioxothiolan-3-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 110706168
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032
N-(1,1-dioxothiolan-3-yl)-3-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
CID 4895636
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide (CID 109026593) is N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide is CN(C(=O)CCN1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is LWSQOGWCWPTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-18(14-5-12-26(23,24)13-14)16(21)4-6-19-7-9-20(10-8-19)17(22)15-3-2-11-25-15/h2-3,11,14H,4-10,12-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 383.47 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 109026593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).