N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C17H17FN4O3S2 — CID 9023310

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17FN4O3S2/c18-14-2-1-3-15(10-14)27(24,25)22-7-5-21(6-8-22)12-16(23)20-17-13(11-19)4-9-26-17/h1-4,9-10H,5-8,12H2,(H,20,23)
InChIKeyDOAHBHRBUGLFOW-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.70
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 9023310) has the molecular formula C17H17FN4O3S2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID9023310
Molecular FormulaC17H17FN4O3S2
Molecular Weight408.48 g/mol
Exact Mass408.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17FN4O3S2/c18-14-2-1-3-15(10-14)27(24,25)22-7-5-21(6-8-22)12-16(23)20-17-13(11-19)4-9-26-17/h1-4,9-10H,5-8,12H2,(H,20,23)
InChIKeyDOAHBHRBUGLFOW-UHFFFAOYSA-N
XLogP1.70
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 9023310) is N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DOAHBHRBUGLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S2/c18-14-2-1-3-15(10-14)27(24,25)22-7-5-21(6-8-22)12-16(23)20-17-13(11-19)4-9-26-17/h1-4,9-10H,5-8,12H2,(H,20,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 9023310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).