N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H16ClN3O2S2 — CID 55852444

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)COc1ccc(NC(=O)CSc2nncs2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S2/c1-9(2)6-20-12-4-3-10(5-11(12)15)17-13(19)7-21-14-18-16-8-22-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyOZUJJEVIOMWFTA-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.96
Rot. Bonds7

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 55852444) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID55852444
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)COc1ccc(NC(=O)CSc2nncs2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S2/c1-9(2)6-20-12-4-3-10(5-11(12)15)17-13(19)7-21-14-18-16-8-22-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyOZUJJEVIOMWFTA-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 55599394
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 22110936
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2545100

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 55852444) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CC(C)COc1ccc(NC(=O)CSc2nncs2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is OZUJJEVIOMWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-9(2)6-20-12-4-3-10(5-11(12)15)17-13(19)7-21-14-18-16-8-22-14/h3-5,8-9H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 55852444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).