N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide

C17H15FN4O3S2 — CID 167928268

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1ncc(S(=O)(=O)NC(=O)c2ccsc2)cn1
InChIInChI=1S/C17H15FN4O3S2/c1-22(10-12-2-4-14(18)5-3-12)17-19-8-15(9-20-17)27(24,25)21-16(23)13-6-7-26-11-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyYTMZUTYBHKFZHT-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.43
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide

N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide (PubChem CID 167928268) has the molecular formula C17H15FN4O3S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide
PubChem CID167928268
Molecular FormulaC17H15FN4O3S2
Molecular Weight406.46 g/mol
Exact Mass406.06
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1ncc(S(=O)(=O)NC(=O)c2ccsc2)cn1
InChIInChI=1S/C17H15FN4O3S2/c1-22(10-12-2-4-14(18)5-3-12)17-19-8-15(9-20-17)27(24,25)21-16(23)13-6-7-26-11-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyYTMZUTYBHKFZHT-UHFFFAOYSA-N
XLogP2.43
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide (CID 167928268) is N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide is CN(Cc1ccc(F)cc1)c1ncc(S(=O)(=O)NC(=O)c2ccsc2)cn1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide?
The InChIKey is YTMZUTYBHKFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S2/c1-22(10-12-2-4-14(18)5-3-12)17-19-8-15(9-20-17)27(24,25)21-16(23)13-6-7-26-11-13/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 167928268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).