5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C20H25N3O5S2 — CID 91567209

IUPAC5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccoc3)s2)C1=O
InChIInChI=1S/C20H25N3O5S2/c1-14(19(24)22-9-3-2-4-10-22)23-11-7-16(20(23)25)21-30(26,27)18-6-5-17(29-18)15-8-12-28-13-15/h5-6,8,12-14,16,21H,2-4,7,9-11H2,1H3/t14-,16?/m0/s1
InChIKeyXGHXUWPOWRODBF-LBAUFKAWSA-N
MW451.57 g/mol
LogP2.29
Rot. Bonds6

About 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide

5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 91567209) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID91567209
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccoc3)s2)C1=O
InChIInChI=1S/C20H25N3O5S2/c1-14(19(24)22-9-3-2-4-10-22)23-11-7-16(20(23)25)21-30(26,27)18-6-5-17(29-18)15-8-12-28-13-15/h5-6,8,12-14,16,21H,2-4,7,9-11H2,1H3/t14-,16?/m0/s1
InChIKeyXGHXUWPOWRODBF-LBAUFKAWSA-N
XLogP2.29
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 91166247
2-chloro-5-thiophen-2-ylthiophene;N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]-5-thiophen-2-ylthiophene-2-sulfonamide
CID 21106699
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91037788
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929
1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
CID 69331514
6-chloro-N-[(3S)-1-[(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329224
(Z)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 69152516
6-chloro-N-[1-[1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22016941
6-chloro-N-[(3S)-1-[(2S)-1-(3-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329814

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 91567209) is 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide is C[C@@H](C(=O)N1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(-c3ccoc3)s2)C1=O.
What is the InChIKey of 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is XGHXUWPOWRODBF-LBAUFKAWSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-14(19(24)22-9-3-2-4-10-22)23-11-7-16(20(23)25)21-30(26,27)18-6-5-17(29-18)15-8-12-28-13-15/h5-6,8,12-14,16,21H,2-4,7,9-11H2,1H3/t14-,16?/m0/s1.
What are the key properties of 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 451.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-[2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 91567209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).