N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

C19H20FN3O4S — CID 20862475

About N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 20862475) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
• PubChem CID: 20862475
• Molecular Formula: C19H20FN3O4S
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.12
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
• SMILES: CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C19H20FN3O4S/c1-23(12-19(25)21-11-13-2-5-15(20)6-3-13)28(26,27)16-7-8-17-14(10-16)4-9-18(24)22-17/h2-3,5-8,10H,4,9,11-12H2,1H3,(H,21,25)(H,22,24)
• InChIKey: DMSGFECNVKZCFG-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 20862475) is N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The InChIKey is DMSGFECNVKZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-23(12-19(25)21-11-13-2-5-15(20)6-3-13)28(26,27)16-7-8-17-14(10-16)4-9-18(24)22-17/h2-3,5-8,10H,4,9,11-12H2,1H3,(H,21,25)(H,22,24).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 405.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20862475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).