3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

C19H24N2O2S — CID 91834194

IUPAC3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccccc1C1(O)CCN(CCC(=O)NCc2cccs2)C1
InChIInChI=1S/C19H24N2O2S/c1-15-5-2-3-7-17(15)19(23)9-11-21(14-19)10-8-18(22)20-13-16-6-4-12-24-16/h2-7,12,23H,8-11,13-14H2,1H3,(H,20,22)
InChIKeyCTPYWBSBBMOEDH-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.66
Rot. Bonds6

About 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91834194) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91834194
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccccc1C1(O)CCN(CCC(=O)NCc2cccs2)C1
InChIInChI=1S/C19H24N2O2S/c1-15-5-2-3-7-17(15)19(23)9-11-21(14-19)10-8-18(22)20-13-16-6-4-12-24-16/h2-7,12,23H,8-11,13-14H2,1H3,(H,20,22)
InChIKeyCTPYWBSBBMOEDH-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide 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

3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 70731474
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16667942
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3511301
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 91834194) is 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is Cc1ccccc1C1(O)CCN(CCC(=O)NCc2cccs2)C1.
What is the InChIKey of 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CTPYWBSBBMOEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-5-2-3-7-17(15)19(23)9-11-21(14-19)10-8-18(22)20-13-16-6-4-12-24-16/h2-7,12,23H,8-11,13-14H2,1H3,(H,20,22).
What are the key properties of 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).