4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide

C18H17N3O2S2 — CID 56503193

IUPAC4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C18H17N3O2S2/c1-2-12-3-5-13(6-4-12)15(22)7-8-16(23)19-18-21-20-17(25-18)14-9-10-24-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,19,21,23)
InChIKeyFYYRMSJNMUHLGG-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.43
Rot. Bonds7

About 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 56503193) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID56503193
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C18H17N3O2S2/c1-2-12-3-5-13(6-4-12)15(22)7-8-16(23)19-18-21-20-17(25-18)14-9-10-24-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,19,21,23)
InChIKeyFYYRMSJNMUHLGG-UHFFFAOYSA-N
XLogP4.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55922761
3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 56503578
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 100502315
2-[(4-oxo-4-phenylbutanoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45009774
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
4-ethyl-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-[(1S)-1-phenylethyl]benzamide
CID 93097282
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 51122663
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 49025371

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 56503193) is 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CCc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is FYYRMSJNMUHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-2-12-3-5-13(6-4-12)15(22)7-8-16(23)19-18-21-20-17(25-18)14-9-10-24-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,19,21,23).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 371.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 56503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).