4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide

C25H24ClFN2O2S — CID 4009462

About 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide

4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 4009462) has the molecular formula C25H24ClFN2O2S and a molecular weight of 471.00 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 4009462
• Molecular Formula: C25H24ClFN2O2S
• Molecular Weight: 471.00 g/mol
• Exact Mass: 470.12
• IUPAC Name: 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)s1
• InChI: InChI=1S/C25H24ClFN2O2S/c1-17-2-13-23(32-17)15-28(14-18-3-9-21(27)10-4-18)24(30)16-29(22-11-12-22)25(31)19-5-7-20(26)8-6-19/h2-10,13,22H,11-12,14-16H2,1H3
• InChIKey: ZCSSFPSNUSQWAY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.00
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 4009462) is 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)s1.

What is the InChIKey of 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is ZCSSFPSNUSQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O2S/c1-17-2-13-23(32-17)15-28(14-18-3-9-21(27)10-4-18)24(30)16-29(22-11-12-22)25(31)19-5-7-20(26)8-6-19/h2-10,13,22H,11-12,14-16H2,1H3.

What are the key properties of 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide?

4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 471.00 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4009462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).