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

C20H21N3O3S2 — CID 27167610

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-4-21-28(25,26)17-10-5-13(2)18(11-17)20(24)23-16-8-6-15(7-9-16)19-12-27-14(3)22-19/h5-12,21H,4H2,1-3H3,(H,23,24)
InChIKeyYHPZCSWNQZMZTD-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.98
Rot. Bonds6

About 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 27167610) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID27167610
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-4-21-28(25,26)17-10-5-13(2)18(11-17)20(24)23-16-8-6-15(7-9-16)19-12-27-14(3)22-19/h5-12,21H,4H2,1-3H3,(H,23,24)
InChIKeyYHPZCSWNQZMZTD-UHFFFAOYSA-N
XLogP3.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
CID 108780119
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25486579
5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412123
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35613501
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
5-(ethylsulfamoyl)-2-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55971765
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 27167610) is 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is YHPZCSWNQZMZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-4-21-28(25,26)17-10-5-13(2)18(11-17)20(24)23-16-8-6-15(7-9-16)19-12-27-14(3)22-19/h5-12,21H,4H2,1-3H3,(H,23,24).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 27167610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).