2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

C16H15FN4O2S — CID 2658674

IUPAC2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H15FN4O2S/c1-21(9-14(22)19-13-4-2-3-12(17)7-13)10-15(23)20-16-11(8-18)5-6-24-16/h2-7H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRDWBCFPNWXYRMX-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.27
Rot. Bonds6

About 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 2658674) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID2658674
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H15FN4O2S/c1-21(9-14(22)19-13-4-2-3-12(17)7-13)10-15(23)20-16-11(8-18)5-6-24-16/h2-7H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRDWBCFPNWXYRMX-UHFFFAOYSA-N
XLogP2.27
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)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

N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 2468190
N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2515449
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24982321
2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 2536646
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 4793713
N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4796551
N-(2,6-difluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965451
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9117763
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 24685979
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 24687836

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 2658674) is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1sccc1C#N.
What is the InChIKey of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is RDWBCFPNWXYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21(9-14(22)19-13-4-2-3-12(17)7-13)10-15(23)20-16-11(8-18)5-6-24-16/h2-7H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2658674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).