N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H22ClN3O4S — CID 135600152

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135600152) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 135600152
• Molecular Formula: C17H22ClN3O4S
• Molecular Weight: 399.90 g/mol
• Exact Mass: 399.10
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1
• InChI: InChI=1S/C17H22ClN3O4S/c1-9-5-12(13(25-4)6-11(9)18)20-15(22)7-14-16(23)21-17(26-14)19-10(2)8-24-3/h5-6,10,14H,7-8H2,1-4H3,(H,20,22)(H,19,21,23)/t10-,14+/m0/s1
• InChIKey: XNSAGWJHMUYUQO-IINYFYTJSA-N
• XLogP: 2.61
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.90
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135600152) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is XNSAGWJHMUYUQO-IINYFYTJSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-9-5-12(13(25-4)6-11(9)18)20-15(22)7-14-16(23)21-17(26-14)19-10(2)8-24-3/h5-6,10,14H,7-8H2,1-4H3,(H,20,22)(H,19,21,23)/t10-,14+/m0/s1.

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135600152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).