4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

About 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23878249) has the molecular formula C29H38N4O4S2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name	4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
PubChem CID	23878249
Molecular Formula	C29H38N4O4S2
Molecular Weight	570.78 g/mol
Exact Mass	570.23
IUPAC Name	4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
SMILES	C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCN(CCC)C3)cc1
InChI	InChI=1S/C29H38N4O4S2/c1-4-15-31-20-14-24-25(21-31)38-28(26(24)29(35)32-18-8-7-9-19-32)30-27(34)22-10-12-23(13-11-22)39(36,37)33(16-5-2)17-6-3/h5-6,10-13H,2-4,7-9,14-21H2,1H3,(H,30,34)
InChIKey	BLZGBAJCZAVPBV-UHFFFAOYSA-N
XLogP	4.76
TPSA	90.03 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.78
LogP ≤ 5	4.76
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 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23878249) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCN(CCC)C3)cc1.

What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The InChIKey is BLZGBAJCZAVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4S2/c1-4-15-31-20-14-24-25(21-31)38-28(26(24)29(35)32-18-8-7-9-19-32)30-27(34)22-10-12-23(13-11-22)39(36,37)33(16-5-2)17-6-3/h5-6,10-13H,2-4,7-9,14-21H2,1H3,(H,30,34).

What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 570.78 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23878249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).