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

C20H21N3O4S2 — CID 18572007

IUPACN-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-13-8-14(2)10-15(9-13)21-19(24)11-16-12-28-20(22-16)23-29(25,26)18-6-4-17(27-3)5-7-18/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHTXYPTSSKPGZLP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.75
Rot. Bonds7

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

N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18572007) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18572007
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-13-8-14(2)10-15(9-13)21-19(24)11-16-12-28-20(22-16)23-29(25,26)18-6-4-17(27-3)5-7-18/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHTXYPTSSKPGZLP-UHFFFAOYSA-N
XLogP3.75
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (CID 18572007) is N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is HTXYPTSSKPGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-8-14(2)10-15(9-13)21-19(24)11-16-12-28-20(22-16)23-29(25,26)18-6-4-17(27-3)5-7-18/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18572007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).