2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide

C19H26N2O2S — CID 86782613

IUPAC2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCCS1
InChIInChI=1S/C19H26N2O2S/c1-19(11-5-13-24-19)18(23)20-16-10-12-21(14-16)17(22)9-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23)
InChIKeyLBFOJROVMVGEQS-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide

2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide (PubChem CID 86782613) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
PubChem CID86782613
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCCS1
InChIInChI=1S/C19H26N2O2S/c1-19(11-5-13-24-19)18(23)20-16-10-12-21(14-16)17(22)9-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23)
InChIKeyLBFOJROVMVGEQS-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-methyl-1-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122006185
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97066119
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273
(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120936054
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide (CID 86782613) is 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide is CC1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCCS1.
What is the InChIKey of 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide?
The InChIKey is LBFOJROVMVGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-19(11-5-13-24-19)18(23)20-16-10-12-21(14-16)17(22)9-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide?
2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide is sourced from PubChem (CID 86782613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).