2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C22H25FN4O4S2 — CID 55732752

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN4O4S2/c1-4-26(5-2)33(30,31)20-10-11-21(28)25(13-20)14-22(29)27(12-18-15-32-16(3)24-18)19-8-6-17(23)7-9-19/h6-11,13,15H,4-5,12,14H2,1-3H3
InChIKeyLDALISWLSLNQDJ-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.02
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 55732752) has the molecular formula C22H25FN4O4S2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID55732752
Molecular FormulaC22H25FN4O4S2
Molecular Weight492.60 g/mol
Exact Mass492.13
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN4O4S2/c1-4-26(5-2)33(30,31)20-10-11-21(28)25(13-20)14-22(29)27(12-18-15-32-16(3)24-18)19-8-6-17(23)7-9-19/h6-11,13,15H,4-5,12,14H2,1-3H3
InChIKeyLDALISWLSLNQDJ-UHFFFAOYSA-N
XLogP3.02
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 43008462
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-dipropylacetamide
CID 55400476
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 43052150
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 55732720
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 55785481
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37362916
1-[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 30833818
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 55732752) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is LDALISWLSLNQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S2/c1-4-26(5-2)33(30,31)20-10-11-21(28)25(13-20)14-22(29)27(12-18-15-32-16(3)24-18)19-8-6-17(23)7-9-19/h6-11,13,15H,4-5,12,14H2,1-3H3.
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 55732752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).