5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide

C18H18FN3O4S — CID 146530064

IUPAC5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C18H18FN3O4S/c19-15-3-5-17(6-4-15)27(24,25)22-11-13-9-21(10-14(13)12-22)18(23)20-8-16-2-1-7-26-16/h1-7H,8-12H2,(H,20,23)
InChIKeyQIGCSZNLXQXOTR-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.95
Rot. Bonds4

About 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide

5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide (PubChem CID 146530064) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
PubChem CID146530064
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C18H18FN3O4S/c19-15-3-5-17(6-4-15)27(24,25)22-11-13-9-21(10-14(13)12-22)18(23)20-8-16-2-1-7-26-16/h1-7H,8-12H2,(H,20,23)
InChIKeyQIGCSZNLXQXOTR-UHFFFAOYSA-N
XLogP1.95
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 146530065
7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 53164986
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 41008117
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 124773963
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
CID 100671897
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide (CID 146530064) is 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide is O=C(NCc1ccco1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The InChIKey is QIGCSZNLXQXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-15-3-5-17(6-4-15)27(24,25)22-11-13-9-21(10-14(13)12-22)18(23)20-8-16-2-1-7-26-16/h1-7H,8-12H2,(H,20,23).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide is sourced from PubChem (CID 146530064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).