N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C17H17FN6OS — CID 1175664

IUPACN-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN6OS/c1-23(2)14-9-5-13(6-10-14)19-16(25)11-26-17-20-21-22-24(17)15-7-3-12(18)4-8-15/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyQYXZAOBXLBMDLU-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1175664) has the molecular formula C17H17FN6OS and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1175664
Molecular FormulaC17H17FN6OS
Molecular Weight372.43 g/mol
Exact Mass372.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN6OS/c1-23(2)14-9-5-13(6-10-14)19-16(25)11-26-17-20-21-22-24(17)15-7-3-12(18)4-8-15/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyQYXZAOBXLBMDLU-UHFFFAOYSA-N
XLogP2.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide 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

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739
N-(3-Acetylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648551
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1175664) is N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is CN(C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QYXZAOBXLBMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6OS/c1-23(2)14-9-5-13(6-10-14)19-16(25)11-26-17-20-21-22-24(17)15-7-3-12(18)4-8-15/h3-10H,11H2,1-2H3,(H,19,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 372.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1175664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).