4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

About 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 69174113) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID	69174113
Molecular Formula	C27H30N4O3S
Molecular Weight	490.63 g/mol
Exact Mass	490.20
IUPAC Name	4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILES	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccccc32)c1-c1ccc(C(C)=O)s1
InChI	InChI=1S/C27H30N4O3S/c1-5-31(6-2)14-13-28-27(34)24-16(3)29-21(25(24)23-12-11-22(35-23)17(4)32)15-19-18-9-7-8-10-20(18)30-26(19)33/h7-12,15,29H,5-6,13-14H2,1-4H3,(H,28,34)(H,30,33)
InChIKey	JGOPHFKQOJOLAB-UHFFFAOYSA-N
XLogP	4.82
TPSA	94.30 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	4.82
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 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 69174113) is 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccccc32)c1-c1ccc(C(C)=O)s1.

What is the InChIKey of 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is JGOPHFKQOJOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-5-31(6-2)14-13-28-27(34)24-16(3)29-21(25(24)23-12-11-22(35-23)17(4)32)15-19-18-9-7-8-10-20(18)30-26(19)33/h7-12,15,29H,5-6,13-14H2,1-4H3,(H,28,34)(H,30,33).

What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-acetylthiophen-2-yl)-N-[2-(diethylamino)ethyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 69174113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).