3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

C24H28N4O2S — CID 17321477

IUPAC3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1
InChIInChI=1S/C24H28N4O2S/c1-3-18(4-2)22(29)25-20-14-9-13-19(16-20)23(30)26-24-28-27-21(31-24)15-8-12-17-10-6-5-7-11-17/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H,25,29)(H,26,28,30)
InChIKeyGFZNRLUUHUGPPH-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.34
Rot. Bonds10

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

3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17321477) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17321477
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1
InChIInChI=1S/C24H28N4O2S/c1-3-18(4-2)22(29)25-20-14-9-13-19(16-20)23(30)26-24-28-27-21(31-24)15-8-12-17-10-6-5-7-11-17/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H,25,29)(H,26,28,30)
InChIKeyGFZNRLUUHUGPPH-UHFFFAOYSA-N
XLogP5.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321708
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3884704
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1303973
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17321477) is 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GFZNRLUUHUGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-18(4-2)22(29)25-20-14-9-13-19(16-20)23(30)26-24-28-27-21(31-24)15-8-12-17-10-6-5-7-11-17/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H,25,29)(H,26,28,30).
What are the key properties of 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17321477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).