2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide

C21H23N3O2S — CID 17321307

IUPAC2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)c2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-3-18(26-17-12-8-5-9-13-17)20(25)22-21-24-23-19(27-21)14-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,22,24,25)
InChIKeyJSYUDQUMWABPDV-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.68
Rot. Bonds8

About 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide

2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 17321307) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID17321307
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)c2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-3-18(26-17-12-8-5-9-13-17)20(25)22-21-24-23-19(27-21)14-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,22,24,25)
InChIKeyJSYUDQUMWABPDV-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306
4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321708
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)butanamide
CID 133184399
(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 35042968

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 17321307) is 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is CCC(Oc1ccccc1)C(=O)Nc1nnc(CC(C)c2ccccc2)s1.
What is the InChIKey of 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is JSYUDQUMWABPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-18(26-17-12-8-5-9-13-17)20(25)22-21-24-23-19(27-21)14-15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,22,24,25).
What are the key properties of 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 381.50 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 17321307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).