N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

C11H12F3N3O2S — CID 103856872

IUPACN-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESN#Cc1ccsc1NC(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(2-3-18)6-9(19)16-10-8(5-15)1-4-20-10/h1,4,18H,2-3,6-7H2,(H,16,19)
InChIKeyIBCDFVKAWNIREO-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.41
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 103856872) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID103856872
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESN#Cc1ccsc1NC(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(2-3-18)6-9(19)16-10-8(5-15)1-4-20-10/h1,4,18H,2-3,6-7H2,(H,16,19)
InChIKeyIBCDFVKAWNIREO-UHFFFAOYSA-N
XLogP1.41
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-piperidin-1-ylacetamide
CID 723142
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CID 2368778
N-(3-cyanothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810921
N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 3690201
N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 16571675
N-(3-cyanothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17411512
N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
CID 24683868
N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 40854379
N-(3-cyanothiophen-2-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 40854383
N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914883
2-[[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262230
2-[[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (CID 103856872) is N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is N#Cc1ccsc1NC(=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is IBCDFVKAWNIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(2-3-18)6-9(19)16-10-8(5-15)1-4-20-10/h1,4,18H,2-3,6-7H2,(H,16,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 307.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 103856872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).