2-azido-N-(3-methylsulfanylphenyl)acetamide

C9H10N4OS — CID 52940390

IUPAC2-azido-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN=[N+]=[N-])c1
InChIInChI=1S/C9H10N4OS/c1-15-8-4-2-3-7(5-8)12-9(14)6-11-13-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyPITQOLKIWAUGNX-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.66
Rot. Bonds4

About 2-azido-N-(3-methylsulfanylphenyl)acetamide

2-azido-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 52940390) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-azido-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(3-methylsulfanylphenyl)acetamide
PubChem CID52940390
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-azido-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN=[N+]=[N-])c1
InChIInChI=1S/C9H10N4OS/c1-15-8-4-2-3-7(5-8)12-9(14)6-11-13-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyPITQOLKIWAUGNX-UHFFFAOYSA-N
XLogP2.66
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
2-azido-N-(3-nitrophenyl)acetamide
CID 98880869
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
2-butylsulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 112781325
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 8583796

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-azido-N-(3-methylsulfanylphenyl)acetamide (CID 52940390) is 2-azido-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-azido-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-azido-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN=[N+]=[N-])c1.
What is the InChIKey of 2-azido-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is PITQOLKIWAUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-15-8-4-2-3-7(5-8)12-9(14)6-11-13-10/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 2-azido-N-(3-methylsulfanylphenyl)acetamide?
2-azido-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 222.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 52940390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).