N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide

C20H25FN2O2S — CID 40847718

IUPACN-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1
InChIInChI=1S/C20H25FN2O2S/c21-17-5-7-18(8-6-17)25-14-20(24)22-13-19(16-9-12-26-15-16)23-10-3-1-2-4-11-23/h5-9,12,15,19H,1-4,10-11,13-14H2,(H,22,24)/t19-/m1/s1
InChIKeyIRFIMPIWXWCPDD-LJQANCHMSA-N
MW376.50 g/mol
LogP4.00
Rot. Bonds7

About N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide

N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 40847718) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID40847718
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1
InChIInChI=1S/C20H25FN2O2S/c21-17-5-7-18(8-6-17)25-14-20(24)22-13-19(16-9-12-26-15-16)23-10-3-1-2-4-11-23/h5-9,12,15,19H,1-4,10-11,13-14H2,(H,22,24)/t19-/m1/s1
InChIKeyIRFIMPIWXWCPDD-LJQANCHMSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604861
2-(4-fluorophenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]acetamide
CID 30605201
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623
2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931619
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide (CID 40847718) is N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is IRFIMPIWXWCPDD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c21-17-5-7-18(8-6-17)25-14-20(24)22-13-19(16-9-12-26-15-16)23-10-3-1-2-4-11-23/h5-9,12,15,19H,1-4,10-11,13-14H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide?
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 40847718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).