(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide

C17H14ClN3O5S2 — CID 25303397

IUPAC(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H14ClN3O5S2/c18-13-5-6-14(27-13)28(25,26)21-7-1-2-12(21)17(24)19-9-3-4-10-11(8-9)16(23)20-15(10)22/h3-6,8,12H,1-2,7H2,(H,19,24)(H,20,22,23)/t12-/m1/s1
InChIKeyDQBOZFDVOOBMIA-GFCCVEGCSA-N
MW439.90 g/mol
LogP2.08
Rot. Bonds4

About (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 25303397) has the molecular formula C17H14ClN3O5S2 and a molecular weight of 439.90 g/mol. Its IUPAC name is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
PubChem CID25303397
Molecular FormulaC17H14ClN3O5S2
Molecular Weight439.90 g/mol
Exact Mass439.01
IUPAC Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H14ClN3O5S2/c18-13-5-6-14(27-13)28(25,26)21-7-1-2-12(21)17(24)19-9-3-4-10-11(8-9)16(23)20-15(10)22/h3-6,8,12H,1-2,7H2,(H,19,24)(H,20,22,23)/t12-/m1/s1
InChIKeyDQBOZFDVOOBMIA-GFCCVEGCSA-N
XLogP2.08
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
(2S)-N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894563
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxamide
CID 16830859
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 16830844
(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 27555576
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 16826697
(2R)-N-(1,3-benzothiazol-6-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 29259646

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide (CID 25303397) is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide is O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)ccc21.
What is the InChIKey of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is DQBOZFDVOOBMIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14ClN3O5S2/c18-13-5-6-14(27-13)28(25,26)21-7-1-2-12(21)17(24)19-9-3-4-10-11(8-9)16(23)20-15(10)22/h3-6,8,12H,1-2,7H2,(H,19,24)(H,20,22,23)/t12-/m1/s1.
What are the key properties of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide?
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 439.90 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25303397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).