N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide

C15H22N2O4S — CID 95302844

IUPACN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)o1
InChIInChI=1S/C15H22N2O4S/c1-2-11-5-6-14(21-11)15(18)16-12-9-22(19,20)10-13(12)17-7-3-4-8-17/h5-6,12-13H,2-4,7-10H2,1H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyAKAWXDJLROQYEI-CHWSQXEVSA-N
MW326.42 g/mol
LogP0.83
Rot. Bonds4

About N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide

N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide (PubChem CID 95302844) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
PubChem CID95302844
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)o1
InChIInChI=1S/C15H22N2O4S/c1-2-11-5-6-14(21-11)15(18)16-12-9-22(19,20)10-13(12)17-7-3-4-8-17/h5-6,12-13H,2-4,7-10H2,1H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyAKAWXDJLROQYEI-CHWSQXEVSA-N
XLogP0.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
CID 97018062
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
CID 95285548
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 100839263
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 94121385

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide (CID 95302844) is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)o1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide?
The InChIKey is AKAWXDJLROQYEI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-11-5-6-14(21-11)15(18)16-12-9-22(19,20)10-13(12)17-7-3-4-8-17/h5-6,12-13H,2-4,7-10H2,1H3,(H,16,18)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide?
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 95302844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).