5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide

C33H47FN4O5S — CID 159237469

About 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide

5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 159237469) has the molecular formula C33H47FN4O5S and a molecular weight of 630.83 g/mol. Its IUPAC name is 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide
• PubChem CID: 159237469
• Molecular Formula: C33H47FN4O5S
• Molecular Weight: 630.83 g/mol
• Exact Mass: 630.33
• IUPAC Name: 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide
• SMILES: CC(CF)C1CCC(C(=O)N2CC[C@@H](C3CCCCC3)[C@H]2C(=O)Cc2ccc3[nH]c(C(=O)NS(=O)(=O)N(C)C)cc3c2)CC1
• InChI: InChI=1S/C33H47FN4O5S/c1-21(20-34)23-10-12-25(13-11-23)33(41)38-16-15-27(24-7-5-4-6-8-24)31(38)30(39)18-22-9-14-28-26(17-22)19-29(35-28)32(40)36-44(42,43)37(2)3/h9,14,17,19,21,23-25,27,31,35H,4-8,10-13,15-16,18,20H2,1-3H3,(H,36,40)/t21?,23?,25?,27-,31-/m0/s1
• InChIKey: KTQXOFXITQYDCG-LZLVFFSESA-N
• XLogP: 5.03
• TPSA: 119.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.83
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide?

The IUPAC name of 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide (CID 159237469) is 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide?

The canonical SMILES for 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide is CC(CF)C1CCC(C(=O)N2CC[C@@H](C3CCCCC3)[C@H]2C(=O)Cc2ccc3[nH]c(C(=O)NS(=O)(=O)N(C)C)cc3c2)CC1.

What is the InChIKey of 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide?

The InChIKey is KTQXOFXITQYDCG-LZLVFFSESA-N. The full InChI is InChI=1S/C33H47FN4O5S/c1-21(20-34)23-10-12-25(13-11-23)33(41)38-16-15-27(24-7-5-4-6-8-24)31(38)30(39)18-22-9-14-28-26(17-22)19-29(35-28)32(40)36-44(42,43)37(2)3/h9,14,17,19,21,23-25,27,31,35H,4-8,10-13,15-16,18,20H2,1-3H3,(H,36,40)/t21?,23?,25?,27-,31-/m0/s1.

What are the key properties of 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide?

5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 630.83 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2S,3S)-3-cyclohexyl-1-[4-[(2S)-1-fluoropropan-2-yl]cyclohexanecarbonyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 159237469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).