2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C21H23N3O3S2 — CID 99169834

IUPAC2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1
InChIInChI=1S/C21H23N3O3S2/c1-13(2)15-6-8-16(9-7-15)19-12-28-21(23-19)24-20(25)18-11-17(10-5-14(18)3)29(26,27)22-4/h5-13,22H,1-4H3,(H,23,24,25)
InChIKeySGLPMJHAQLXRKE-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.40
Rot. Bonds6

About 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 99169834) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID99169834
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1
InChIInChI=1S/C21H23N3O3S2/c1-13(2)15-6-8-16(9-7-15)19-12-28-21(23-19)24-20(25)18-11-17(10-5-14(18)3)29(26,27)22-4/h5-13,22H,1-4H3,(H,23,24,25)
InChIKeySGLPMJHAQLXRKE-UHFFFAOYSA-N
XLogP4.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55490059
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55488992
5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469346
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 99169834) is 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SGLPMJHAQLXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-13(2)15-6-8-16(9-7-15)19-12-28-21(23-19)24-20(25)18-11-17(10-5-14(18)3)29(26,27)22-4/h5-13,22H,1-4H3,(H,23,24,25).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 429.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 99169834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).