3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

C19H25N3O4S — CID 154871958

IUPAC3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(=O)N2CCCC2Cc2cc3ccccc3o2)C1
InChIInChI=1S/C19H25N3O4S/c20-27(24,25)21-9-3-6-15(13-21)19(23)22-10-4-7-16(22)12-17-11-14-5-1-2-8-18(14)26-17/h1-2,5,8,11,15-16H,3-4,6-7,9-10,12-13H2,(H2,20,24,25)
InChIKeyBQRGRCOWAUVLHY-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.88
Rot. Bonds4

About 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 154871958) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID154871958
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(=O)N2CCCC2Cc2cc3ccccc3o2)C1
InChIInChI=1S/C19H25N3O4S/c20-27(24,25)21-9-3-6-15(13-21)19(23)22-10-4-7-16(22)12-17-11-14-5-1-2-8-18(14)26-17/h1-2,5,8,11,15-16H,3-4,6-7,9-10,12-13H2,(H2,20,24,25)
InChIKeyBQRGRCOWAUVLHY-UHFFFAOYSA-N
XLogP1.88
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (CID 154871958) is 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCCC(C(=O)N2CCCC2Cc2cc3ccccc3o2)C1.
What is the InChIKey of 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is BQRGRCOWAUVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c20-27(24,25)21-9-3-6-15(13-21)19(23)22-10-4-7-16(22)12-17-11-14-5-1-2-8-18(14)26-17/h1-2,5,8,11,15-16H,3-4,6-7,9-10,12-13H2,(H2,20,24,25).
What are the key properties of 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 154871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).