3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide

C19H27N3O3S — CID 69240971

About 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide

3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 69240971) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
• PubChem CID: 69240971
• Molecular Formula: C19H27N3O3S
• Molecular Weight: 377.51 g/mol
• Exact Mass: 377.18
• IUPAC Name: 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
• SMILES: COc1ccc(CCC(=O)NC[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1
• InChI: InChI=1S/C19H27N3O3S/c1-25-16-5-2-14(3-6-16)4-7-18(23)21-12-15-10-17(20-11-15)19(24)22-8-9-26-13-22/h2-3,5-6,15,17,20H,4,7-13H2,1H3,(H,21,23)/t15-,17-/m0/s1
• InChIKey: HEFDPLSAFVWCLO-RDJZCZTQSA-N
• XLogP: 1.25
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.51
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide (CID 69240971) is 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide is COc1ccc(CCC(=O)NC[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?

The InChIKey is HEFDPLSAFVWCLO-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-25-16-5-2-14(3-6-16)4-7-18(23)21-12-15-10-17(20-11-15)19(24)22-8-9-26-13-22/h2-3,5-6,15,17,20H,4,7-13H2,1H3,(H,21,23)/t15-,17-/m0/s1.

What are the key properties of 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?

3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 377.51 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 69240971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).