2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

C21H19ClN4O2S — CID 20933044

IUPAC2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1cc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c2ccccc21
InChIInChI=1S/C21H19ClN4O2S/c1-2-26-12-14(17-5-3-4-6-18(17)26)11-20-24-25-21(29-20)23-19(27)13-28-16-9-7-15(22)8-10-16/h3-10,12H,2,11,13H2,1H3,(H,23,25,27)
InChIKeyWETBTRFWSUCDLG-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 20933044) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID20933044
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1cc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c2ccccc21
InChIInChI=1S/C21H19ClN4O2S/c1-2-26-12-14(17-5-3-4-6-18(17)26)11-20-24-25-21(29-20)23-19(27)13-28-16-9-7-15(22)8-10-16/h3-10,12H,2,11,13H2,1H3,(H,23,25,27)
InChIKeyWETBTRFWSUCDLG-UHFFFAOYSA-N
XLogP4.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933068
N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 20933046
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1185936
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 40833614

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 20933044) is 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is CCn1cc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WETBTRFWSUCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-2-26-12-14(17-5-3-4-6-18(17)26)11-20-24-25-21(29-20)23-19(27)13-28-16-9-7-15(22)8-10-16/h3-10,12H,2,11,13H2,1H3,(H,23,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 20933044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).