N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C17H22FN5O3S — CID 24816589

IUPACN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22FN5O3S/c1-3-12(2)23(15-8-9-27(25,26)11-15)16(24)10-22-20-17(19-21-22)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeySVDRJCINPFLXEC-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.29
Rot. Bonds6

About N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 24816589) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID24816589
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22FN5O3S/c1-3-12(2)23(15-8-9-27(25,26)11-15)16(24)10-22-20-17(19-21-22)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeySVDRJCINPFLXEC-UHFFFAOYSA-N
XLogP1.29
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 24816589) is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is CCC(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is SVDRJCINPFLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-3-12(2)23(15-8-9-27(25,26)11-15)16(24)10-22-20-17(19-21-22)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 24816589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).