3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

C18H24N4O3S — CID 17226256

IUPAC3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCCC(C)c1nnc(NC(=O)CCNC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C18H24N4O3S/c1-4-6-12(2)17-21-22-18(26-17)20-15(23)9-10-19-16(24)13-7-5-8-14(11-13)25-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyMHVKAMCNVARCLO-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.21
Rot. Bonds9

About 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (PubChem CID 17226256) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
PubChem CID17226256
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCCC(C)c1nnc(NC(=O)CCNC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C18H24N4O3S/c1-4-6-12(2)17-21-22-18(26-17)20-15(23)9-10-19-16(24)13-7-5-8-14(11-13)25-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyMHVKAMCNVARCLO-UHFFFAOYSA-N
XLogP3.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]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

ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
N-[3-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226237
N-[2-[5-(3-chloropropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 94831015
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
N-[2-[5-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17225799
N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191796
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (CID 17226256) is 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is CCCC(C)c1nnc(NC(=O)CCNC(=O)c2cccc(OC)c2)s1.
What is the InChIKey of 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The InChIKey is MHVKAMCNVARCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-6-12(2)17-21-22-18(26-17)20-15(23)9-10-19-16(24)13-7-5-8-14(11-13)25-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,19,24)(H,20,22,23).
What are the key properties of 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 17226256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).