2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

About 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 58779624) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name	2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID	58779624
Molecular Formula	C25H33N5O4S
Molecular Weight	499.64 g/mol
Exact Mass	499.23
IUPAC Name	2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)c(C)c1CC(=O)NCCN1CCCC1
InChI	InChI=1S/C25H33N5O4S/c1-16-19(15-24(31)26-9-12-30-10-5-6-11-30)17(2)27-23(16)14-21-20-13-18(35(33,34)29(3)4)7-8-22(20)28-25(21)32/h7-8,13-14,27H,5-6,9-12,15H2,1-4H3,(H,26,31)(H,28,32)/b21-14-
InChIKey	YPIKQDQKJATBAS-STZFKDTASA-N
XLogP	2.13
TPSA	114.61 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.64
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?

The IUPAC name of 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 58779624) is 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

What is the SMILES notation for 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?

The canonical SMILES for 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)c(C)c1CC(=O)NCCN1CCCC1.

What is the InChIKey of 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?

The InChIKey is YPIKQDQKJATBAS-STZFKDTASA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-16-19(15-24(31)26-9-12-30-10-5-6-11-30)17(2)27-23(16)14-21-20-13-18(35(33,34)29(3)4)7-8-22(20)28-25(21)32/h7-8,13-14,27H,5-6,9-12,15H2,1-4H3,(H,26,31)(H,28,32)/b21-14-.

What are the key properties of 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?

2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 499.64 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 58779624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).