N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C19H20FN3OS — CID 47035112

IUPACN-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCCC1c1ccsc1)c1ccccc1F
InChIInChI=1S/C19H20FN3OS/c20-16-5-1-2-6-18(16)23(11-4-9-21)19(24)13-22-10-3-7-17(22)15-8-12-25-14-15/h1-2,5-6,8,12,14,17H,3-4,7,10-11,13H2
InChIKeyANJUOSNLXDQQOV-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.97
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 47035112) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID47035112
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC NameN-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCCC1c1ccsc1)c1ccccc1F
InChIInChI=1S/C19H20FN3OS/c20-16-5-1-2-6-18(16)23(11-4-9-21)19(24)13-22-10-3-7-17(22)15-8-12-25-14-15/h1-2,5-6,8,12,14,17H,3-4,7,10-11,13H2
InChIKeyANJUOSNLXDQQOV-UHFFFAOYSA-N
XLogP3.97
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Ethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062129
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
(E)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 6224117
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
3-(4-Methylphenyl)-2-(2-thienyl)-1,3-thiazolan-4-one
CID 2999563
3-(3-Methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062304
3-(4-Ethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535710
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9117763
2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4789291
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2424168
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 2982519

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 47035112) is N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is N#CCCN(C(=O)CN1CCCC1c1ccsc1)c1ccccc1F.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is ANJUOSNLXDQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c20-16-5-1-2-6-18(16)23(11-4-9-21)19(24)13-22-10-3-7-17(22)15-8-12-25-14-15/h1-2,5-6,8,12,14,17H,3-4,7,10-11,13H2.
What are the key properties of N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47035112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).