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

C15H18FN5O3S — CID 7465895

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18FN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyJORLJPCHWXTPQR-CYBMUJFWSA-N
MW367.41 g/mol
LogP0.51
Rot. Bonds5

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

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7465895) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7465895
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18FN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyJORLJPCHWXTPQR-CYBMUJFWSA-N
XLogP0.51
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-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-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7465895) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is CCN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is JORLJPCHWXTPQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c1-2-20(13-7-8-25(23,24)10-13)14(22)9-21-18-15(17-19-21)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).