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

C18H16FN3O3S2 — CID 37255354

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1
InChIInChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-7-3-5-13(10-15)17(23)21-18-20-11-16(26-18)9-12-4-2-6-14(19)8-12/h2-8,10-11,22H,9H2,1H3,(H,20,21,23)
InChIKeyKKWWBJJHZSGTDD-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.50
Rot. Bonds6

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

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide (PubChem CID 37255354) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
PubChem CID37255354
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1
InChIInChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-7-3-5-13(10-15)17(23)21-18-20-11-16(26-18)9-12-4-2-6-14(19)8-12/h2-8,10-11,22H,9H2,1H3,(H,20,21,23)
InChIKeyKKWWBJJHZSGTDD-UHFFFAOYSA-N
XLogP3.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55851836
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
3-(cyclopropylcarbamoylamino)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 55909172
methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 37263770
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
3-(dimethylsulfamoyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dimethylbenzamide
CID 39221332
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027
3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46535806
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide (CID 37255354) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide?
The InChIKey is KKWWBJJHZSGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-7-3-5-13(10-15)17(23)21-18-20-11-16(26-18)9-12-4-2-6-14(19)8-12/h2-8,10-11,22H,9H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 37255354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).