N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C15H19N3O4S — CID 22519019

IUPACN-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O4S/c1-17-11-13(23(20,21)18-6-2-3-7-18)9-14(17)15(19)16-10-12-5-4-8-22-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,19)
InChIKeyDTRZFMLIAZGYHM-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519019) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519019
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O4S/c1-17-11-13(23(20,21)18-6-2-3-7-18)9-14(17)15(19)16-10-12-5-4-8-22-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,19)
InChIKeyDTRZFMLIAZGYHM-UHFFFAOYSA-N
XLogP1.33
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 22519019) is N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is DTRZFMLIAZGYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-17-11-13(23(20,21)18-6-2-3-7-18)9-14(17)15(19)16-10-12-5-4-8-22-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).