4-azido-N-(4-methylsulfanylphenyl)butanamide

C11H14N4OS — CID 42611968

IUPAC4-azido-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4OS/c1-17-10-6-4-9(5-7-10)14-11(16)3-2-8-13-15-12/h4-7H,2-3,8H2,1H3,(H,14,16)
InChIKeyDGHQZSWYCCHBPG-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.44
Rot. Bonds6

About 4-azido-N-(4-methylsulfanylphenyl)butanamide

4-azido-N-(4-methylsulfanylphenyl)butanamide (PubChem CID 42611968) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-azido-N-(4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-azido-N-(4-methylsulfanylphenyl)butanamide
PubChem CID42611968
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-azido-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4OS/c1-17-10-6-4-9(5-7-10)14-11(16)3-2-8-13-15-12/h4-7H,2-3,8H2,1H3,(H,14,16)
InChIKeyDGHQZSWYCCHBPG-UHFFFAOYSA-N
XLogP3.44
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-azido-N-(4-methylsulfanylphenyl)butanamide 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

4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
4-azido-N-(3-methylphenyl)butanamide
CID 61373304
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
6-azido-N-(4-phenoxyphenyl)hexanamide
CID 42612296
7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(4-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-azido-N-(4-methylsulfanylphenyl)butanamide (CID 42611968) is 4-azido-N-(4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-azido-N-(4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-azido-N-(4-methylsulfanylphenyl)butanamide is CSc1ccc(NC(=O)CCCN=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N-(4-methylsulfanylphenyl)butanamide?
The InChIKey is DGHQZSWYCCHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-17-10-6-4-9(5-7-10)14-11(16)3-2-8-13-15-12/h4-7H,2-3,8H2,1H3,(H,14,16).
What are the key properties of 4-azido-N-(4-methylsulfanylphenyl)butanamide?
4-azido-N-(4-methylsulfanylphenyl)butanamide has a molecular weight of 250.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 42611968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).