N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C17H18N4O2S — CID 2503786

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-10-24-17(13)19-16(23)12-20-6-8-21(9-7-20)14-1-3-15(22)4-2-14/h1-5,10,22H,6-9,12H2,(H,19,23)
InChIKeyQVPBVMNNKHOWNW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.09
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2503786) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2503786
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-10-24-17(13)19-16(23)12-20-6-8-21(9-7-20)14-1-3-15(22)4-2-14/h1-5,10,22H,6-9,12H2,(H,19,23)
InChIKeyQVPBVMNNKHOWNW-UHFFFAOYSA-N
XLogP2.09
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2503786) is N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is QVPBVMNNKHOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-11-13-5-10-24-17(13)19-16(23)12-20-6-8-21(9-7-20)14-1-3-15(22)4-2-14/h1-5,10,22H,6-9,12H2,(H,19,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2503786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).