2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C18H21FN2O2S — CID 56792953

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCc1cccs1
InChIInChI=1S/C18H21FN2O2S/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h1-6,9,15,17,22H,7-8,10-12H2,(H,20,23)
InChIKeyZVIICXJHOPQEJJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.70
Rot. Bonds8

About 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 56792953) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID56792953
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCc1cccs1
InChIInChI=1S/C18H21FN2O2S/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h1-6,9,15,17,22H,7-8,10-12H2,(H,20,23)
InChIKeyZVIICXJHOPQEJJ-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1s,2r)-1-(3,5-Difluorobenzyl)-3-({1-[4-(2,2-Dimethylpropyl)thiophen-2-Yl]cyclopropyl}amino)-2-Hydroxypropyl]acetamide
CID 46891887
[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]-[1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl]azanium
CID 72200098
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(thiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide
CID 52947441
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(5-neopentylthiophen-2-yl)cyclopropylamino)butan-2-yl)acetamide
CID 52948727
JUA-UNI-bc099708-1
CID 154706316
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
CID 51094200
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
[4-[2-(3-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 56815066
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006
N1-(3-(2-phenylmorpholino)propyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 16893048
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(thiophen-3-yl)ethyl)oxalamide
CID 52992646

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 56792953) is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCc1cccs1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZVIICXJHOPQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h1-6,9,15,17,22H,7-8,10-12H2,(H,20,23).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 56792953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).