N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide

C19H17N3O2S2 — CID 84560916

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
SMILESCCc1nnc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C19H17N3O2S2/c1-2-17-21-22-19(26-17)20-18(24)14-9-6-10-15(11-14)25-12-16(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22,24)
InChIKeyDHZGKWPNKNOLTF-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.33
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide (PubChem CID 84560916) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
PubChem CID84560916
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
SMILESCCc1nnc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C19H17N3O2S2/c1-2-17-21-22-19(26-17)20-18(24)14-9-6-10-15(11-14)25-12-16(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22,24)
InChIKeyDHZGKWPNKNOLTF-UHFFFAOYSA-N
XLogP4.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
CID 84552506
3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17297201
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4276006
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 107642805
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1019431
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide (CID 84560916) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide is CCc1nnc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide?
The InChIKey is DHZGKWPNKNOLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-2-17-21-22-19(26-17)20-18(24)14-9-6-10-15(11-14)25-12-16(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,22,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide has a molecular weight of 383.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84560916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).