N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H21N3O4S2 — CID 38970613

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-14-23-17(13-28-14)12-27-18-8-6-16(7-9-18)20(24)22-11-15-4-3-5-19(10-15)29(25,26)21-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyMFGXITKMLLPZFP-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.87
Rot. Bonds8

About N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 38970613) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID38970613
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-14-23-17(13-28-14)12-27-18-8-6-16(7-9-18)20(24)22-11-15-4-3-5-19(10-15)29(25,26)21-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyMFGXITKMLLPZFP-UHFFFAOYSA-N
XLogP2.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36757414

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 38970613) is N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is MFGXITKMLLPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-14-23-17(13-28-14)12-27-18-8-6-16(7-9-18)20(24)22-11-15-4-3-5-19(10-15)29(25,26)21-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 431.54 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 38970613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).