3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide

C19H22FN3O2S — CID 47035121

IUPAC3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCCC1c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c20-15-3-5-16(6-4-15)23(10-7-18(21)24)19(25)12-22-9-1-2-17(22)14-8-11-26-13-14/h3-6,8,11,13,17H,1-2,7,9-10,12H2,(H2,21,24)
InChIKeyXNPZNRXBOWXRGS-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.93
Rot. Bonds7

About 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide

3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide (PubChem CID 47035121) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
PubChem CID47035121
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCCC1c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c20-15-3-5-16(6-4-15)23(10-7-18(21)24)19(25)12-22-9-1-2-17(22)14-8-11-26-13-14/h3-6,8,11,13,17H,1-2,7,9-10,12H2,(H2,21,24)
InChIKeyXNPZNRXBOWXRGS-UHFFFAOYSA-N
XLogP2.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035125
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
CID 39980651
3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
CID 39980549
ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 47019495
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
CID 41456553
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 55506228
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 60509890
N-ethyl-N-(4-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62732355

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide (CID 47035121) is 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide is NC(=O)CCN(C(=O)CN1CCCC1c1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
The InChIKey is XNPZNRXBOWXRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-15-3-5-16(6-4-15)23(10-7-18(21)24)19(25)12-22-9-1-2-17(22)14-8-11-26-13-14/h3-6,8,11,13,17H,1-2,7,9-10,12H2,(H2,21,24).
What are the key properties of 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide has a molecular weight of 375.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide is sourced from PubChem (CID 47035121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).