1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide

C26H28N2O4S2 — CID 23799081

IUPAC1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)C2C(c3sccc3C)C(C(N)=O)N(C(=O)C3CCC3)C2c2sccc2C)o1
InChIInChI=1S/C26H28N2O4S2/c1-13-9-11-33-23(13)19-18(22(29)17-8-7-15(3)32-17)20(24-14(2)10-12-34-24)28(21(19)25(27)30)26(31)16-5-4-6-16/h7-12,16,18-21H,4-6H2,1-3H3,(H2,27,30)
InChIKeySBIFSWYZQUDRRG-UHFFFAOYSA-N
MW496.65 g/mol
LogP5.15
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide

1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide (PubChem CID 23799081) has the molecular formula C26H28N2O4S2 and a molecular weight of 496.65 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
PubChem CID23799081
Molecular FormulaC26H28N2O4S2
Molecular Weight496.65 g/mol
Exact Mass496.15
IUPAC Name1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)C2C(c3sccc3C)C(C(N)=O)N(C(=O)C3CCC3)C2c2sccc2C)o1
InChIInChI=1S/C26H28N2O4S2/c1-13-9-11-33-23(13)19-18(22(29)17-8-7-15(3)32-17)20(24-14(2)10-12-34-24)28(21(19)25(27)30)26(31)16-5-4-6-16/h7-12,16,18-21H,4-6H2,1-3H3,(H2,27,30)
InChIKeySBIFSWYZQUDRRG-UHFFFAOYSA-N
XLogP5.15
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide (CID 23799081) is 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide is Cc1ccc(C(=O)C2C(c3sccc3C)C(C(N)=O)N(C(=O)C3CCC3)C2c2sccc2C)o1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SBIFSWYZQUDRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S2/c1-13-9-11-33-23(13)19-18(22(29)17-8-7-15(3)32-17)20(24-14(2)10-12-34-24)28(21(19)25(27)30)26(31)16-5-4-6-16/h7-12,16,18-21H,4-6H2,1-3H3,(H2,27,30).
What are the key properties of 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 496.65 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-4-(5-methylfuran-2-carbonyl)-3,5-bis(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23799081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).