(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C19H28N2O2S — CID 94662470

IUPAC(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(C)C
InChIInChI=1S/C19H28N2O2S/c1-13(2)20(12-17-14(3)8-9-24-17)19(23)15-10-18(22)21(11-15)16-6-4-5-7-16/h8-9,13,15-16H,4-7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyGBMDWQFCZFNQPI-HNNXBMFYSA-N
MW348.51 g/mol
LogP3.58
Rot. Bonds5

About (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 94662470) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID94662470
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(C)C
InChIInChI=1S/C19H28N2O2S/c1-13(2)20(12-17-14(3)8-9-24-17)19(23)15-10-18(22)21(11-15)16-6-4-5-7-16/h8-9,13,15-16H,4-7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyGBMDWQFCZFNQPI-HNNXBMFYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 94662470) is (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccsc1CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(C)C.
What is the InChIKey of (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GBMDWQFCZFNQPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13(2)20(12-17-14(3)8-9-24-17)19(23)15-10-18(22)21(11-15)16-6-4-5-7-16/h8-9,13,15-16H,4-7,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 94662470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).