2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C20H28N4O6S2 — CID 20927538

IUPAC2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H28N4O6S2/c1-21(13-17-7-6-12-30-17)20(25)16-22-14-18(31(26,27)23-8-2-3-9-23)19(15-22)32(28,29)24-10-4-5-11-24/h6-7,12,14-15H,2-5,8-11,13,16H2,1H3
InChIKeyXYROFXGCMLCEOP-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.31
Rot. Bonds8

About 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 20927538) has the molecular formula C20H28N4O6S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID20927538
Molecular FormulaC20H28N4O6S2
Molecular Weight484.60 g/mol
Exact Mass484.15
IUPAC Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H28N4O6S2/c1-21(13-17-7-6-12-30-17)20(25)16-22-14-18(31(26,27)23-8-2-3-9-23)19(15-22)32(28,29)24-10-4-5-11-24/h6-7,12,14-15H,2-5,8-11,13,16H2,1H3
InChIKeyXYROFXGCMLCEOP-UHFFFAOYSA-N
XLogP1.31
TPSA113.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 20927538) is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is XYROFXGCMLCEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6S2/c1-21(13-17-7-6-12-30-17)20(25)16-22-14-18(31(26,27)23-8-2-3-9-23)19(15-22)32(28,29)24-10-4-5-11-24/h6-7,12,14-15H,2-5,8-11,13,16H2,1H3.
What are the key properties of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 484.60 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 20927538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).