2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide

C17H14ClN3O2S — CID 55984940

IUPAC2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11(23-15-4-2-3-13(18)9-15)17(22)19-14-7-5-12(6-8-14)16-10-24-21-20-16/h2-11H,1H3,(H,19,22)
InChIKeyKWMGULXZNMIZET-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide (PubChem CID 55984940) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
PubChem CID55984940
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11(23-15-4-2-3-13(18)9-15)17(22)19-14-7-5-12(6-8-14)16-10-24-21-20-16/h2-11H,1H3,(H,19,22)
InChIKeyKWMGULXZNMIZET-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 874230
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
2-(3-chlorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493849
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide (CID 55984940) is 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
The InChIKey is KWMGULXZNMIZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11(23-15-4-2-3-13(18)9-15)17(22)19-14-7-5-12(6-8-14)16-10-24-21-20-16/h2-11H,1H3,(H,19,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide has a molecular weight of 359.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 55984940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).