N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide

C22H22FN3O4S — CID 53161460

IUPACN-[(3-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCC3=CC(=CC=C3)F)C
InChIInChI=1S/C22H22FN3O4S/c1-15-6-9-19(10-7-15)31(29,30)25-20-11-8-16(2)26(22(20)28)14-21(27)24-13-17-4-3-5-18(23)12-17/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyDHLXGDRMFUQNSO-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.80
Rot. Bonds7

About N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide

N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide (PubChem CID 53161460) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
PubChem CID53161460
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCC3=CC(=CC=C3)F)C
InChIInChI=1S/C22H22FN3O4S/c1-15-6-9-19(10-7-15)31(29,30)25-20-11-8-16(2)26(22(20)28)14-21(27)24-13-17-4-3-5-18(23)12-17/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyDHLXGDRMFUQNSO-UHFFFAOYSA-N
XLogP2.80
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity841

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide?
The IUPAC name of N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide (CID 53161460) is N-[(3-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide?
The canonical SMILES for N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide is CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCC3=CC(=CC=C3)F)C.
What is the InChIKey of N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide?
The InChIKey is DHLXGDRMFUQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-15-6-9-19(10-7-15)31(29,30)25-20-11-8-16(2)26(22(20)28)14-21(27)24-13-17-4-3-5-18(23)12-17/h3-12,25H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide?
N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide is sourced from PubChem (CID 53161460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).