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

C24H28N4O2S — CID 17321708

IUPAC4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(CC(C)c3ccccc3)s2)cc1
InChIInChI=1S/C24H28N4O2S/c1-4-17(5-2)22(29)25-20-13-11-19(12-14-20)23(30)26-24-28-27-21(31-24)15-16(3)18-9-7-6-8-10-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,28,30)
InChIKeyHCKIEBYSAQUGGI-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.51
Rot. Bonds9

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

4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17321708) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17321708
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(CC(C)c3ccccc3)s2)cc1
InChIInChI=1S/C24H28N4O2S/c1-4-17(5-2)22(29)25-20-13-11-19(12-14-20)23(30)26-24-28-27-21(31-24)15-16(3)18-9-7-6-8-10-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,28,30)
InChIKeyHCKIEBYSAQUGGI-UHFFFAOYSA-N
XLogP5.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348
4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40965609
2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321477
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17321708) is 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(CC(C)c3ccccc3)s2)cc1.
What is the InChIKey of 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HCKIEBYSAQUGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-4-17(5-2)22(29)25-20-13-11-19(12-14-20)23(30)26-24-28-27-21(31-24)15-16(3)18-9-7-6-8-10-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,25,29)(H,26,28,30).
What are the key properties of 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17321708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).