N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C17H15N3OS2 — CID 7474594

IUPACN-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H15N3OS2/c21-16(11-22-17-20-18-12-23-17)19-15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,21)
InChIKeyKVIASJYUJZQJTB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.86
Rot. Bonds6

About N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 7474594) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID7474594
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H15N3OS2/c21-16(11-22-17-20-18-12-23-17)19-15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,21)
InChIKeyKVIASJYUJZQJTB-UHFFFAOYSA-N
XLogP3.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4858269
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 97313247
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
N-(2-benzylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7894986
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-benzylphenyl)acetamide
CID 7845350
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659
N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 7474594) is N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is KVIASJYUJZQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c21-16(11-22-17-20-18-12-23-17)19-15-9-5-4-8-14(15)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,21).
What are the key properties of N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 7474594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).