N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C19H19FN4O4S3 — CID 55706981

IUPACN-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)s1
InChIInChI=1S/C19H19FN4O4S3/c1-24(2)31(27,28)17-8-7-13(30-17)10-21-16(25)9-12-11-29-19(22-12)23-18(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyZYIZVJSUDSPYTH-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.71
Rot. Bonds8

About N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 55706981) has the molecular formula C19H19FN4O4S3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID55706981
Molecular FormulaC19H19FN4O4S3
Molecular Weight482.58 g/mol
Exact Mass482.06
IUPAC NameN-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)s1
InChIInChI=1S/C19H19FN4O4S3/c1-24(2)31(27,28)17-8-7-13(30-17)10-21-16(25)9-12-11-29-19(22-12)23-18(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyZYIZVJSUDSPYTH-UHFFFAOYSA-N
XLogP2.71
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 47730257
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704203
N-[4-[2-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 56576272
2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719953
2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719710
N-[4-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704551
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 55706981) is N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)s1.
What is the InChIKey of N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is ZYIZVJSUDSPYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S3/c1-24(2)31(27,28)17-8-7-13(30-17)10-21-16(25)9-12-11-29-19(22-12)23-18(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 482.58 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 55706981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).