2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C19H17ClN4O3S — CID 17311918

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN4O3S/c1-2-17-23-24-19(28-17)22-18(26)14-5-3-4-6-15(14)21-16(25)11-27-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyDOADTGSNLBSRDF-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.02
Rot. Bonds7

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17311918) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17311918
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN4O3S/c1-2-17-23-24-19(28-17)22-18(26)14-5-3-4-6-15(14)21-16(25)11-27-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyDOADTGSNLBSRDF-UHFFFAOYSA-N
XLogP4.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224954
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17312018
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
2-chloro-N-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 15472881
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 17311918) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DOADTGSNLBSRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-2-17-23-24-19(28-17)22-18(26)14-5-3-4-6-15(14)21-16(25)11-27-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 416.89 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17311918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).