2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide

C32H37N5O4S2 — CID 144630761

About 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide

2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide (PubChem CID 144630761) has the molecular formula C32H37N5O4S2 and a molecular weight of 619.81 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 144630761
• Molecular Formula: C32H37N5O4S2
• Molecular Weight: 619.81 g/mol
• Exact Mass: 619.23
• IUPAC Name: 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide
• SMILES: CCCc1nc(NC(=O)Cc2ccccc2OC)sc1[C@@H]1CCC[C@@H](c2nnc(NC(=O)Cc3ccccc3OC)s2)C1
• InChI: InChI=1S/C32H37N5O4S2/c1-4-10-24-29(42-31(33-24)34-27(38)18-20-11-5-7-15-25(20)40-2)22-13-9-14-23(17-22)30-36-37-32(43-30)35-28(39)19-21-12-6-8-16-26(21)41-3/h5-8,11-12,15-16,22-23H,4,9-10,13-14,17-19H2,1-3H3,(H,33,34,38)(H,35,37,39)/t22-,23-/m1/s1
• InChIKey: WCOQJSBTHQVLAA-DHIUTWEWSA-N
• XLogP: 6.77
• TPSA: 115.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.81
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide (CID 144630761) is 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide is CCCc1nc(NC(=O)Cc2ccccc2OC)sc1[C@@H]1CCC[C@@H](c2nnc(NC(=O)Cc3ccccc3OC)s2)C1.

What is the InChIKey of 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is WCOQJSBTHQVLAA-DHIUTWEWSA-N. The full InChI is InChI=1S/C32H37N5O4S2/c1-4-10-24-29(42-31(33-24)34-27(38)18-20-11-5-7-15-25(20)40-2)22-13-9-14-23(17-22)30-36-37-32(43-30)35-28(39)19-21-12-6-8-16-26(21)41-3/h5-8,11-12,15-16,22-23H,4,9-10,13-14,17-19H2,1-3H3,(H,33,34,38)(H,35,37,39)/t22-,23-/m1/s1.

What are the key properties of 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide?

2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 619.81 g/mol, XLogP of 6.77, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-4-propyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 144630761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).