N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C16H15FN2O2S2 — CID 41099176

IUPACN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H15FN2O2S2/c17-12-5-3-11(4-6-12)16(13-2-1-7-23-13)18-14(20)8-19-10-22-9-15(19)21/h1-7,16H,8-10H2,(H,18,20)/t16-/m0/s1
InChIKeyXBFTULNHDNLGDY-INIZCTEOSA-N
MW350.44 g/mol
LogP2.63
Rot. Bonds5

About N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 41099176) has the molecular formula C16H15FN2O2S2 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID41099176
Molecular FormulaC16H15FN2O2S2
Molecular Weight350.44 g/mol
Exact Mass350.06
IUPAC NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H15FN2O2S2/c17-12-5-3-11(4-6-12)16(13-2-1-7-23-13)18-14(20)8-19-10-22-9-15(19)21/h1-7,16H,8-10H2,(H,18,20)/t16-/m0/s1
InChIKeyXBFTULNHDNLGDY-INIZCTEOSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 11930023
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9342029
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
methyl 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754723
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55402687
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46571477
(2S)-4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40797052
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 41099176) is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)N[C@@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XBFTULNHDNLGDY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FN2O2S2/c17-12-5-3-11(4-6-12)16(13-2-1-7-23-13)18-14(20)8-19-10-22-9-15(19)21/h1-7,16H,8-10H2,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 41099176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).