4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

C20H21N3O3S2 — CID 18292040

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C)c(C)s3)cc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-12-5-6-13(2)18(11-12)28(25,26)23-17-9-7-16(8-10-17)19(24)22-20-21-14(3)15(4)27-20/h5-11,23H,1-4H3,(H,21,22,24)
InChIKeyFYOPNSREGDBNHL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.43
Rot. Bonds5

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 18292040) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
PubChem CID18292040
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C)c(C)s3)cc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-12-5-6-13(2)18(11-12)28(25,26)23-17-9-7-16(8-10-17)19(24)22-20-21-14(3)15(4)27-20/h5-11,23H,1-4H3,(H,21,22,24)
InChIKeyFYOPNSREGDBNHL-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 29407190
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598343
4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18128666

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (CID 18292040) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C)c(C)s3)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FYOPNSREGDBNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-12-5-6-13(2)18(11-12)28(25,26)23-17-9-7-16(8-10-17)19(24)22-20-21-14(3)15(4)27-20/h5-11,23H,1-4H3,(H,21,22,24).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18292040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).