4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

C15H22N2O3S — CID 143239706

IUPAC4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCC(C)NC(=O)C1CC(O)CN1C(=O)c1ccsc1
InChIInChI=1S/C15H22N2O3S/c1-3-4-10(2)16-14(19)13-7-12(18)8-17(13)15(20)11-5-6-21-9-11/h5-6,9-10,12-13,18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyXGJGQUUCWPHSAQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.63
Rot. Bonds5

About 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 143239706) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID143239706
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCC(C)NC(=O)C1CC(O)CN1C(=O)c1ccsc1
InChIInChI=1S/C15H22N2O3S/c1-3-4-10(2)16-14(19)13-7-12(18)8-17(13)15(20)11-5-6-21-9-11/h5-6,9-10,12-13,18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyXGJGQUUCWPHSAQ-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 143239706) is 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is CCCC(C)NC(=O)C1CC(O)CN1C(=O)c1ccsc1.
What is the InChIKey of 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is XGJGQUUCWPHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-4-10(2)16-14(19)13-7-12(18)8-17(13)15(20)11-5-6-21-9-11/h5-6,9-10,12-13,18H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pentan-2-yl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143239706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).