N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide

C20H21N3O3S2 — CID 20970873

IUPACN-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-13-4-7-17(8-5-13)28(25,26)23-20-21-16(12-27-20)11-19(24)22-18-9-6-14(2)10-15(18)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNSCBSOOGNKDKJK-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.05
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide

N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 20970873) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID20970873
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-13-4-7-17(8-5-13)28(25,26)23-20-21-16(12-27-20)11-19(24)22-18-9-6-14(2)10-15(18)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNSCBSOOGNKDKJK-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 44922574
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 108802071

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (CID 20970873) is N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is NSCBSOOGNKDKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-13-4-7-17(8-5-13)28(25,26)23-20-21-16(12-27-20)11-19(24)22-18-9-6-14(2)10-15(18)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 20970873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).