(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C15H16BrN3O4S2 — CID 95678965

IUPAC(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Br)c[nH]c2=O)s1
InChIInChI=1S/C15H16BrN3O4S2/c1-9-4-5-13(24-9)25(22,23)19-6-2-3-12(19)15(21)18-11-7-10(16)8-17-14(11)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyRZGOUDNAHOPPOY-GFCCVEGCSA-N
MW446.35 g/mol
LogP2.30
Rot. Bonds4

About (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 95678965) has the molecular formula C15H16BrN3O4S2 and a molecular weight of 446.35 g/mol. Its IUPAC name is (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID95678965
Molecular FormulaC15H16BrN3O4S2
Molecular Weight446.35 g/mol
Exact Mass444.98
IUPAC Name(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Br)c[nH]c2=O)s1
InChIInChI=1S/C15H16BrN3O4S2/c1-9-4-5-13(24-9)25(22,23)19-6-2-3-12(19)15(21)18-11-7-10(16)8-17-14(11)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyRZGOUDNAHOPPOY-GFCCVEGCSA-N
XLogP2.30
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

methyl 4-methyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 43049681
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CID 42943806
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
N-[5-(dimethylamino)-2-pyridinyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60600192
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 42937535
N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 134001822
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 31700861
(2S)-N-[(3-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33283433
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 120943095
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 120655530
N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60590497
(2R)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33039226

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 95678965) is (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Br)c[nH]c2=O)s1.
What is the InChIKey of (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RZGOUDNAHOPPOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16BrN3O4S2/c1-9-4-5-13(24-9)25(22,23)19-6-2-3-12(19)15(21)18-11-7-10(16)8-17-14(11)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 446.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95678965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).