N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

C17H18N4OS — CID 2515449

IUPACN-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4OS/c18-12-14-6-11-23-17(14)19-16(22)13-20-7-9-21(10-8-20)15-4-2-1-3-5-15/h1-6,11H,7-10,13H2,(H,19,22)
InChIKeyDZFDSUCSISKGBN-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.38
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2515449) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2515449
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4OS/c18-12-14-6-11-23-17(14)19-16(22)13-20-7-9-21(10-8-20)15-4-2-1-3-5-15/h1-6,11H,7-10,13H2,(H,19,22)
InChIKeyDZFDSUCSISKGBN-UHFFFAOYSA-N
XLogP2.38
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 2515449) is N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is DZFDSUCSISKGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-12-14-6-11-23-17(14)19-16(22)13-20-7-9-21(10-8-20)15-4-2-1-3-5-15/h1-6,11H,7-10,13H2,(H,19,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2515449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).