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

C21H19ClN2O3S2 — CID 25303482

IUPAC(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClN2O3S2/c22-18-10-11-19(28-18)29(26,27)24-12-2-5-17(24)21(25)23-16-9-8-14-7-6-13-3-1-4-15(16)20(13)14/h1,3-4,8-11,17H,2,5-7,12H2,(H,23,25)/t17-/m1/s1
InChIKeyFFYSVHZXWSGGFO-QGZVFWFLSA-N
MW446.98 g/mol
LogP4.45
Rot. Bonds4

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

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide (PubChem CID 25303482) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
PubChem CID25303482
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClN2O3S2/c22-18-10-11-19(28-18)29(26,27)24-12-2-5-17(24)21(25)23-16-9-8-14-7-6-13-3-1-4-15(16)20(13)14/h1,3-4,8-11,17H,2,5-7,12H2,(H,23,25)/t17-/m1/s1
InChIKeyFFYSVHZXWSGGFO-QGZVFWFLSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 25303484
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 16828076
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 31700861
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 42937535
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 16826687
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25496985
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 41343401
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide (CID 25303482) is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is FFYSVHZXWSGGFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c22-18-10-11-19(28-18)29(26,27)24-12-2-5-17(24)21(25)23-16-9-8-14-7-6-13-3-1-4-15(16)20(13)14/h1,3-4,8-11,17H,2,5-7,12H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25303482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).