4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide

C16H19N3O5S — CID 97261479

IUPAC4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1C(N)=O
InChIInChI=1S/C16H19N3O5S/c1-18-10-12(9-13(18)16(17)21)25(22,23)19-6-2-4-11(19)8-14(20)15-5-3-7-24-15/h3,5,7,9-11H,2,4,6,8H2,1H3,(H2,17,21)/t11-/m1/s1
InChIKeyRTPXBZVIJSQENF-LLVKDONJSA-N
MW365.41 g/mol
LogP1.14
Rot. Bonds6

About 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide

4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (PubChem CID 97261479) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
PubChem CID97261479
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1C(N)=O
InChIInChI=1S/C16H19N3O5S/c1-18-10-12(9-13(18)16(17)21)25(22,23)19-6-2-4-11(19)8-14(20)15-5-3-7-24-15/h3,5,7,9-11H,2,4,6,8H2,1H3,(H2,17,21)/t11-/m1/s1
InChIKeyRTPXBZVIJSQENF-LLVKDONJSA-N
XLogP1.14
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 97261482
methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423589
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984843
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
methyl 4-[2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052082
methyl 4-[(2R)-2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063629
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24658235
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 61409191
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 107215322
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide (CID 97261479) is 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1C(N)=O.
What is the InChIKey of 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
The InChIKey is RTPXBZVIJSQENF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-18-10-12(9-13(18)16(17)21)25(22,23)19-6-2-4-11(19)8-14(20)15-5-3-7-24-15/h3,5,7,9-11H,2,4,6,8H2,1H3,(H2,17,21)/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide?
4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97261479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).