N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C16H17FN2O3S — CID 75496113

IUPACN-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cccs1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-10(15(21)11-4-6-12(17)7-5-11)19-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10,15,21H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyKERKVNWCBBBCGN-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 75496113) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID75496113
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cccs1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-10(15(21)11-4-6-12(17)7-5-11)19-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10,15,21H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyKERKVNWCBBBCGN-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 75496113) is N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is CC(NC(=O)CNC(=O)c1cccs1)C(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is KERKVNWCBBBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10(15(21)11-4-6-12(17)7-5-11)19-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10,15,21H,9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 75496113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).