N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

C17H15N3O3S — CID 714645

IUPACN-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C17H15N3O3S/c1-11(21)18-12-5-4-6-13(9-12)19-16(22)10-24-17-20-14-7-2-3-8-15(14)23-17/h2-9H,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyQBFHBMRPLYNPPG-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.52
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 714645) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID714645
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C17H15N3O3S/c1-11(21)18-12-5-4-6-13(9-12)19-16(22)10-24-17-20-14-7-2-3-8-15(14)23-17/h2-9H,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyQBFHBMRPLYNPPG-UHFFFAOYSA-N
XLogP3.52
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide 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-(4-Nitro-benzylsulfanyl)-benzooxazole
CID 497456
L 696229
CID 72352
L 696040
CID 131887
2-(2,4-Dinitrophenyl)sulfanyl-1,3-benzoxazole
CID 2129554
Benzoxazole, 2-ethyl-
CID 23239
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(Methylthio)benzoxazole
CID 4178773
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
(1R,2R)-2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 9967252
2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 22272776

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 714645) is N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is QBFHBMRPLYNPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11(21)18-12-5-4-6-13(9-12)19-16(22)10-24-17-20-14-7-2-3-8-15(14)23-17/h2-9H,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 714645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).