4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

C20H29FN2O2S — CID 52717503

IUPAC4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1F)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C20H29FN2O2S/c21-17-6-1-2-7-18(17)25-13-5-8-19(24)22-16-20(9-3-4-10-20)23-11-14-26-15-12-23/h1-2,6-7H,3-5,8-16H2,(H,22,24)
InChIKeyOLXXXTLENAXEOT-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.46
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (PubChem CID 52717503) has the molecular formula C20H29FN2O2S and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
PubChem CID52717503
Molecular FormulaC20H29FN2O2S
Molecular Weight380.53 g/mol
Exact Mass380.19
IUPAC Name4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1F)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C20H29FN2O2S/c21-17-6-1-2-7-18(17)25-13-5-8-19(24)22-16-20(9-3-4-10-20)23-11-14-26-15-12-23/h1-2,6-7H,3-5,8-16H2,(H,22,24)
InChIKeyOLXXXTLENAXEOT-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4846003
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 39179857
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559246
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (CID 52717503) is 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is O=C(CCCOc1ccccc1F)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The InChIKey is OLXXXTLENAXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2S/c21-17-6-1-2-7-18(17)25-13-5-8-19(24)22-16-20(9-3-4-10-20)23-11-14-26-15-12-23/h1-2,6-7H,3-5,8-16H2,(H,22,24).
What are the key properties of 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide has a molecular weight of 380.53 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 52717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).