4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

C16H20FN3O3S2 — CID 86852432

IUPAC4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cs1
InChIInChI=1S/C16H20FN3O3S2/c1-10(2)19-25(22,23)15-7-12(5-6-14(15)17)16(21)20(4)8-13-9-24-11(3)18-13/h5-7,9-10,19H,8H2,1-4H3
InChIKeyIBZMOSLWSZWLFR-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.55
Rot. Bonds6

About 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86852432) has the molecular formula C16H20FN3O3S2 and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID86852432
Molecular FormulaC16H20FN3O3S2
Molecular Weight385.49 g/mol
Exact Mass385.09
IUPAC Name4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cs1
InChIInChI=1S/C16H20FN3O3S2/c1-10(2)19-25(22,23)15-7-12(5-6-14(15)17)16(21)20(4)8-13-9-24-11(3)18-13/h5-7,9-10,19H,8H2,1-4H3
InChIKeyIBZMOSLWSZWLFR-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
methyl 4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856111
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 90648411
2-fluoro-6-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 104917136
3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide
CID 82778780
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18136776
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61284204

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 86852432) is 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is Cc1nc(CN(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is IBZMOSLWSZWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S2/c1-10(2)19-25(22,23)15-7-12(5-6-14(15)17)16(21)20(4)8-13-9-24-11(3)18-13/h5-7,9-10,19H,8H2,1-4H3.
What are the key properties of 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86852432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).