4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide

C17H14N4O2S — CID 17119526

IUPAC4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nncs2)cc1
InChIInChI=1S/C17H14N4O2S/c22-15(10-12-4-2-1-3-5-12)19-14-8-6-13(7-9-14)16(23)20-17-21-18-11-24-17/h1-9,11H,10H2,(H,19,22)(H,20,21,23)
InChIKeyUPHFLUXGJZCBNC-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.97
Rot. Bonds5

About 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide

4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17119526) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17119526
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nncs2)cc1
InChIInChI=1S/C17H14N4O2S/c22-15(10-12-4-2-1-3-5-12)19-14-8-6-13(7-9-14)16(23)20-17-21-18-11-24-17/h1-9,11H,10H2,(H,19,22)(H,20,21,23)
InChIKeyUPHFLUXGJZCBNC-UHFFFAOYSA-N
XLogP2.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55759309
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119648
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 17119526) is 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UPHFLUXGJZCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-15(10-12-4-2-1-3-5-12)19-14-8-6-13(7-9-14)16(23)20-17-21-18-11-24-17/h1-9,11H,10H2,(H,19,22)(H,20,21,23).
What are the key properties of 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17119526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).