N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide

C22H24ClN3O4S2 — CID 18559492

IUPACN-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H24ClN3O4S2/c1-13-4-6-16(8-14(13)2)26(22-25-18-11-32(28,29)12-20(18)31-22)10-21(27)24-17-9-15(23)5-7-19(17)30-3/h4-9,18,20H,10-12H2,1-3H3,(H,24,27)
InChIKeyDJOWLVPSKAFTKB-UHFFFAOYSA-N
MW494.04 g/mol
LogP3.68
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide (PubChem CID 18559492) has the molecular formula C22H24ClN3O4S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
PubChem CID18559492
Molecular FormulaC22H24ClN3O4S2
Molecular Weight494.04 g/mol
Exact Mass493.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H24ClN3O4S2/c1-13-4-6-16(8-14(13)2)26(22-25-18-11-32(28,29)12-20(18)31-22)10-21(27)24-17-9-15(23)5-7-19(17)30-3/h4-9,18,20H,10-12H2,1-3H3,(H,24,27)
InChIKeyDJOWLVPSKAFTKB-UHFFFAOYSA-N
XLogP3.68
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide (CID 18559492) is N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(C)c(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The InChIKey is DJOWLVPSKAFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S2/c1-13-4-6-16(8-14(13)2)26(22-25-18-11-32(28,29)12-20(18)31-22)10-21(27)24-17-9-15(23)5-7-19(17)30-3/h4-9,18,20H,10-12H2,1-3H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide has a molecular weight of 494.04 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide is sourced from PubChem (CID 18559492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).