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

C20H21N3O5S2 — CID 18572009

IUPACN-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-13-4-9-17(18(10-13)28-3)22-19(24)11-14-12-29-20(21-14)23-30(25,26)16-7-5-15(27-2)6-8-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMUQLHZNPGSHHOS-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.45
Rot. Bonds8

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

N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18572009) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18572009
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-13-4-9-17(18(10-13)28-3)22-19(24)11-14-12-29-20(21-14)23-30(25,26)16-7-5-15(27-2)6-8-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMUQLHZNPGSHHOS-UHFFFAOYSA-N
XLogP3.45
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
3,5-dimethoxy-N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568093
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567570
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (CID 18572009) is N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)cc1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is MUQLHZNPGSHHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-13-4-9-17(18(10-13)28-3)22-19(24)11-14-12-29-20(21-14)23-30(25,26)16-7-5-15(27-2)6-8-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18572009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).