2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C18H21FN2O3S2 — CID 18144876

IUPAC2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCc1ccccc1F
InChIInChI=1S/C18H21FN2O3S2/c19-17-6-2-1-4-14(17)10-20-18(22)12-21(11-16-5-3-8-25-16)15-7-9-26(23,24)13-15/h1-6,8,15H,7,9-13H2,(H,20,22)
InChIKeyIDQDIJAUNVEKSU-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.19
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 18144876) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID18144876
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCc1ccccc1F
InChIInChI=1S/C18H21FN2O3S2/c19-17-6-2-1-4-14(17)10-20-18(22)12-21(11-16-5-3-8-25-16)15-7-9-26(23,24)13-15/h1-6,8,15H,7,9-13H2,(H,20,22)
InChIKeyIDQDIJAUNVEKSU-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide 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

2-[[(3S)-1,1-dioxothiolan-3-yl]-prop-2-enylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 95132352
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 18144877
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 7299216
2-[[[(3R)-1,1-dioxothiolan-3-yl]-(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 51981265
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
2-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997638
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)naphthalene-1-carboxamide
CID 3366243
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113056066
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 9231953
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8801393

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 18144876) is 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NCc1ccccc1F.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is IDQDIJAUNVEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c19-17-6-2-1-4-14(17)10-20-18(22)12-21(11-16-5-3-8-25-16)15-7-9-26(23,24)13-15/h1-6,8,15H,7,9-13H2,(H,20,22).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18144876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).