(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide

C16H25N3O2S — CID 56711024

IUPAC(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)cs1
InChIInChI=1S/C16H25N3O2S/c1-4-5-13-6-11(9-22-13)16(21)19-8-12(17)7-14(19)15(20)18-10(2)3/h6,9-10,12,14H,4-5,7-8,17H2,1-3H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyBVWJVVIUBUAXFG-OCCSQVGLSA-N
MW323.46 g/mol
LogP1.77
Rot. Bonds5

About (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56711024) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56711024
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)cs1
InChIInChI=1S/C16H25N3O2S/c1-4-5-13-6-11(9-22-13)16(21)19-8-12(17)7-14(19)15(20)18-10(2)3/h6,9-10,12,14H,4-5,7-8,17H2,1-3H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyBVWJVVIUBUAXFG-OCCSQVGLSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 56711024) is (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide is CCCc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)cs1.
What is the InChIKey of (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BVWJVVIUBUAXFG-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-5-13-6-11(9-22-13)16(21)19-8-12(17)7-14(19)15(20)18-10(2)3/h6,9-10,12,14H,4-5,7-8,17H2,1-3H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-propan-2-yl-1-(5-propylthiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).