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

C19H26N4O6S2 — CID 20927524

IUPAC2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)NCc1ccco1
InChIInChI=1S/C19H26N4O6S2/c24-19(20-12-16-6-5-11-29-16)15-21-13-17(30(25,26)22-7-1-2-8-22)18(14-21)31(27,28)23-9-3-4-10-23/h5-6,11,13-14H,1-4,7-10,12,15H2,(H,20,24)
InChIKeyKXALKRVLGHPLMW-UHFFFAOYSA-N
MW470.57 g/mol
LogP0.97
Rot. Bonds8

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

2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20927524) has the molecular formula C19H26N4O6S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20927524
Molecular FormulaC19H26N4O6S2
Molecular Weight470.57 g/mol
Exact Mass470.13
IUPAC Name2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)NCc1ccco1
InChIInChI=1S/C19H26N4O6S2/c24-19(20-12-16-6-5-11-29-16)15-21-13-17(30(25,26)22-7-1-2-8-22)18(14-21)31(27,28)23-9-3-4-10-23/h5-6,11,13-14H,1-4,7-10,12,15H2,(H,20,24)
InChIKeyKXALKRVLGHPLMW-UHFFFAOYSA-N
XLogP0.97
TPSA121.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 50.97
H-Bond Donors ≤ 51
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)acetamide?
The IUPAC name of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 20927524) is 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCCC2)c(S(=O)(=O)N2CCCC2)c1)NCc1ccco1.
What is the InChIKey of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KXALKRVLGHPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S2/c24-19(20-12-16-6-5-11-29-16)15-21-13-17(30(25,26)22-7-1-2-8-22)18(14-21)31(27,28)23-9-3-4-10-23/h5-6,11,13-14H,1-4,7-10,12,15H2,(H,20,24).
What are the key properties of 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 470.57 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 20927524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).