N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

About N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50842042) has the molecular formula C23H32N4O3S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name	N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
PubChem CID	50842042
Molecular Formula	C23H32N4O3S2
Molecular Weight	476.67 g/mol
Exact Mass	476.19
IUPAC Name	N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
SMILES	Cc1csc(-c2cc(S(=O)(=O)NCCC3=CCCCC3)cn2CC(=O)N2CCCCC2)n1
InChI	InChI=1S/C23H32N4O3S2/c1-18-17-31-23(25-18)21-14-20(15-27(21)16-22(28)26-12-6-3-7-13-26)32(29,30)24-11-10-19-8-4-2-5-9-19/h8,14-15,17,24H,2-7,9-13,16H2,1H3
InChIKey	DHCAJPAPODTREA-UHFFFAOYSA-N
XLogP	4.10
TPSA	84.30 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.67
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50842042) is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)NCCC3=CCCCC3)cn2CC(=O)N2CCCCC2)n1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The InChIKey is DHCAJPAPODTREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S2/c1-18-17-31-23(25-18)21-14-20(15-27(21)16-22(28)26-12-6-3-7-13-26)32(29,30)24-11-10-19-8-4-2-5-9-19/h8,14-15,17,24H,2-7,9-13,16H2,1H3.

What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 476.67 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).