N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H20N2O3S — CID 2999589

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2cccs2)o1
InChIInChI=1S/C17H20N2O3S/c1-12-7-8-13(22-12)11-18(2)16(20)14-5-3-9-19(14)17(21)15-6-4-10-23-15/h4,6-8,10,14H,3,5,9,11H2,1-2H3
InChIKeyCTIXIQGKUPSTIH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2999589) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2999589
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2cccs2)o1
InChIInChI=1S/C17H20N2O3S/c1-12-7-8-13(22-12)11-18(2)16(20)14-5-3-9-19(14)17(21)15-6-4-10-23-15/h4,6-8,10,14H,3,5,9,11H2,1-2H3
InChIKeyCTIXIQGKUPSTIH-UHFFFAOYSA-N
XLogP2.91
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2999589) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2cccs2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CTIXIQGKUPSTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-7-8-13(22-12)11-18(2)16(20)14-5-3-9-19(14)17(21)15-6-4-10-23-15/h4,6-8,10,14H,3,5,9,11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2999589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).