3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

C24H34N4O4S — CID 46321450

About 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 46321450) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 46321450
• Molecular Formula: C24H34N4O4S
• Molecular Weight: 474.63 g/mol
• Exact Mass: 474.23
• IUPAC Name: 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)c1C(=O)N1CCCCC1
• InChI: InChI=1S/C24H34N4O4S/c1-16(2)19-8-10-20(11-9-19)27-21(29)12-13-25-33(31,32)23-18(4)26-17(3)22(23)24(30)28-14-6-5-7-15-28/h8-11,16,25-26H,5-7,12-15H2,1-4H3,(H,27,29)
• InChIKey: DDODIVNJLLHDEH-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 111.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.63
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?

The IUPAC name of 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (CID 46321450) is 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.

What is the SMILES notation for 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?

The canonical SMILES for 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)c1C(=O)N1CCCCC1.

What is the InChIKey of 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?

The InChIKey is DDODIVNJLLHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-16(2)19-8-10-20(11-9-19)27-21(29)12-13-25-33(31,32)23-18(4)26-17(3)22(23)24(30)28-14-6-5-7-15-28/h8-11,16,25-26H,5-7,12-15H2,1-4H3,(H,27,29).

What are the key properties of 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?

3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 474.63 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 46321450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).