N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

C14H14Cl2N4O2S2 — CID 55821946

IUPACN-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1
InChIInChI=1S/C14H14Cl2N4O2S2/c1-2-20(12(22)7-23-14-19-17-8-24-14)6-11(21)18-13-9(15)4-3-5-10(13)16/h3-5,8H,2,6-7H2,1H3,(H,18,21)
InChIKeyVECVAAYBVKUQHM-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.42
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (PubChem CID 55821946) has the molecular formula C14H14Cl2N4O2S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
PubChem CID55821946
Molecular FormulaC14H14Cl2N4O2S2
Molecular Weight405.33 g/mol
Exact Mass403.99
IUPAC NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1
InChIInChI=1S/C14H14Cl2N4O2S2/c1-2-20(12(22)7-23-14-19-17-8-24-14)6-11(21)18-13-9(15)4-3-5-10(13)16/h3-5,8H,2,6-7H2,1H3,(H,18,21)
InChIKeyVECVAAYBVKUQHM-UHFFFAOYSA-N
XLogP3.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413965
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (CID 55821946) is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The InChIKey is VECVAAYBVKUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2S2/c1-2-20(12(22)7-23-14-19-17-8-24-14)6-11(21)18-13-9(15)4-3-5-10(13)16/h3-5,8H,2,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide has a molecular weight of 405.33 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 55821946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).