N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

C19H18FN3O3S2 — CID 86935088

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O3S2/c1-28(25,26)23-17-5-3-2-4-14(17)11-18(24)22-19-21-12-16(27-19)10-13-6-8-15(20)9-7-13/h2-9,12,23H,10-11H2,1H3,(H,21,22,24)
InChIKeyGDNCJFMADIVGRO-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.43
Rot. Bonds7

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86935088) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86935088
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O3S2/c1-28(25,26)23-17-5-3-2-4-14(17)11-18(24)22-19-21-12-16(27-19)10-13-6-8-15(20)9-7-13/h2-9,12,23H,10-11H2,1H3,(H,21,22,24)
InChIKeyGDNCJFMADIVGRO-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55479710
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 57414113
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
CID 37035145
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7454406
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 71590184

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86935088) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is GDNCJFMADIVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-28(25,26)23-17-5-3-2-4-14(17)11-18(24)22-19-21-12-16(27-19)10-13-6-8-15(20)9-7-13/h2-9,12,23H,10-11H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86935088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).