2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C17H23N3O3S — CID 69241258

IUPAC2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C17H23N3O3S/c1-23-15-5-3-2-4-13(15)16(21)19-10-12-8-14(18-9-12)17(22)20-6-7-24-11-20/h2-5,12,14,18H,6-11H2,1H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyDUZHKPZQJZOACI-JSGCOSHPSA-N
MW349.46 g/mol
LogP0.94
Rot. Bonds5

About 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 69241258) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID69241258
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C17H23N3O3S/c1-23-15-5-3-2-4-13(15)16(21)19-10-12-8-14(18-9-12)17(22)20-6-7-24-11-20/h2-5,12,14,18H,6-11H2,1H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyDUZHKPZQJZOACI-JSGCOSHPSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide 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

2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
1-(2-methoxyphenyl)-3-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]urea
CID 69240965
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
4-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242489
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
CID 11696157
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 69240790
2,2-difluoro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 91286913
(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
CID 69241471
4-bromo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238518
3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238431
4-(dimethylamino)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242452
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 91366956

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 69241258) is 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is COc1ccccc1C(=O)NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1.
What is the InChIKey of 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is DUZHKPZQJZOACI-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-23-15-5-3-2-4-13(15)16(21)19-10-12-8-14(18-9-12)17(22)20-6-7-24-11-20/h2-5,12,14,18H,6-11H2,1H3,(H,19,21)/t12-,14-/m0/s1.
What are the key properties of 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 69241258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).