(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C16H25N3O2S — CID 56702518

IUPAC(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCc1c(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)csc1C
InChIInChI=1S/C16H25N3O2S/c1-5-12-10(4)22-8-13(12)16(21)19-7-11(17)6-14(19)15(20)18-9(2)3/h8-9,11,14H,5-7,17H2,1-4H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyTWZDCMGZXNTQII-RISCZKNCSA-N
MW323.46 g/mol
LogP1.69
Rot. Bonds4

About (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56702518) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56702518
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCc1c(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)csc1C
InChIInChI=1S/C16H25N3O2S/c1-5-12-10(4)22-8-13(12)16(21)19-7-11(17)6-14(19)15(20)18-9(2)3/h8-9,11,14H,5-7,17H2,1-4H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyTWZDCMGZXNTQII-RISCZKNCSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.69
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-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56702518) is (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CCc1c(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)csc1C.
What is the InChIKey of (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is TWZDCMGZXNTQII-RISCZKNCSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-5-12-10(4)22-8-13(12)16(21)19-7-11(17)6-14(19)15(20)18-9(2)3/h8-9,11,14H,5-7,17H2,1-4H3,(H,18,20)/t11-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(4-ethyl-5-methylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56702518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).