methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate

C24H27N3O5S — CID 30177123

About methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate (PubChem CID 30177123) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
• PubChem CID: 30177123
• Molecular Formula: C24H27N3O5S
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.17
• IUPAC Name: methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
• SMILES: COC(=O)c1cn(CC(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c2ccccc12
• InChI: InChI=1S/C24H27N3O5S/c1-16(22(29)27(24-25-12-13-33-24)17-8-4-3-5-9-17)32-21(28)15-26-14-19(23(30)31-2)18-10-6-7-11-20(18)26/h6-7,10-14,16-17H,3-5,8-9,15H2,1-2H3/t16-/m0/s1
• InChIKey: YGRZFTAXFRAYCM-INIZCTEOSA-N
• XLogP: 4.18
• TPSA: 90.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?

The IUPAC name of methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate (CID 30177123) is methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate.

What is the SMILES notation for methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?

The canonical SMILES for methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c2ccccc12.

What is the InChIKey of methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?

The InChIKey is YGRZFTAXFRAYCM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16(22(29)27(24-25-12-13-33-24)17-8-4-3-5-9-17)32-21(28)15-26-14-19(23(30)31-2)18-10-6-7-11-20(18)26/h6-7,10-14,16-17H,3-5,8-9,15H2,1-2H3/t16-/m0/s1.

What are the key properties of methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?

methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate has a molecular weight of 469.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 30177123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).