2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide

C20H24FNO3S — CID 110310259

IUPAC2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(NCC1(CO)CCOCC1)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3S/c21-16-5-3-15(4-6-16)18(12-17-2-1-11-26-17)19(24)22-13-20(14-23)7-9-25-10-8-20/h1-6,11,18,23H,7-10,12-14H2,(H,22,24)
InChIKeyWRVQZWNDPITYQJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.12
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110310259) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID110310259
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(NCC1(CO)CCOCC1)C(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3S/c21-16-5-3-15(4-6-16)18(12-17-2-1-11-26-17)19(24)22-13-20(14-23)7-9-25-10-8-20/h1-6,11,18,23H,7-10,12-14H2,(H,22,24)
InChIKeyWRVQZWNDPITYQJ-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
CID 166245308
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110303228
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpropanamide
CID 110296595
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95785454
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide (CID 110310259) is 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide is O=C(NCC1(CO)CCOCC1)C(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is WRVQZWNDPITYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c21-16-5-3-15(4-6-16)18(12-17-2-1-11-26-17)19(24)22-13-20(14-23)7-9-25-10-8-20/h1-6,11,18,23H,7-10,12-14H2,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide?
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 377.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110310259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).