2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide

C17H21FN4O3S — CID 155918886

IUPAC2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccccc1F
InChIInChI=1S/C17H21FN4O3S/c1-21(2)9-16(23)20-14-10-26(24,25)11-15(14)22-8-7-19-17(22)12-5-3-4-6-13(12)18/h3-8,14-15H,9-11H2,1-2H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyRCQBLPCIZSZOHA-HUUCEWRRSA-N
MW380.45 g/mol
LogP0.71
Rot. Bonds5

About 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide

2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 155918886) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide
PubChem CID155918886
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccccc1F
InChIInChI=1S/C17H21FN4O3S/c1-21(2)9-16(23)20-14-10-26(24,25)11-15(14)22-8-7-19-17(22)12-5-3-4-6-13(12)18/h3-8,14-15H,9-11H2,1-2H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyRCQBLPCIZSZOHA-HUUCEWRRSA-N
XLogP0.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-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 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide (CID 155918886) is 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide is CN(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is RCQBLPCIZSZOHA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-21(2)9-16(23)20-14-10-26(24,25)11-15(14)22-8-7-19-17(22)12-5-3-4-6-13(12)18/h3-8,14-15H,9-11H2,1-2H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide?
2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3S,4S)-4-[2-(2-fluorophenyl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 155918886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).