N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide

C18H17FN2OS — CID 20886360

IUPACN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccn1Cc1ccccc1F
InChIInChI=1S/C18H17FN2OS/c19-17-8-2-1-5-14(17)13-21-9-3-6-15(21)12-20-18(22)11-16-7-4-10-23-16/h1-10H,11-13H2,(H,20,22)
InChIKeyZMIMGNYRSRWWSG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.60
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide

N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 20886360) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID20886360
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccn1Cc1ccccc1F
InChIInChI=1S/C18H17FN2OS/c19-17-8-2-1-5-14(17)13-21-9-3-6-15(21)12-20-18(22)11-16-7-4-10-23-16/h1-10H,11-13H2,(H,20,22)
InChIKeyZMIMGNYRSRWWSG-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
N-[(2-fluorophenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026233
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 71795514
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide (CID 20886360) is N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cccn1Cc1ccccc1F.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZMIMGNYRSRWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-17-8-2-1-5-14(17)13-21-9-3-6-15(21)12-20-18(22)11-16-7-4-10-23-16/h1-10H,11-13H2,(H,20,22).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20886360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).