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

C17H19N4O2S+ — CID 2508369

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-10-24-17(13)19-16(23)12-20-6-8-21(9-7-20)14-3-1-2-4-15(14)22/h1-5,10,22H,6-9,12H2,(H,19,23)/p+1
InChIKeyDINSINZNUWRYTA-UHFFFAOYSA-O
MW343.43 g/mol
LogP0.67
Rot. Bonds4

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

N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2508369) has the molecular formula C17H19N4O2S+ and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2508369
Molecular FormulaC17H19N4O2S+
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-10-24-17(13)19-16(23)12-20-6-8-21(9-7-20)14-3-1-2-4-15(14)22/h1-5,10,22H,6-9,12H2,(H,19,23)/p+1
InChIKeyDINSINZNUWRYTA-UHFFFAOYSA-O
XLogP0.67
TPSA80.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
CID 9450347
4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 2697707
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide
CID 2397612
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028215
N-(2-chloro-3-pyridinyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2460298
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 2473904

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2508369) is N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is N#Cc1ccsc1NC(=O)C[NH+]1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is DINSINZNUWRYTA-UHFFFAOYSA-O. 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)14-3-1-2-4-15(14)22/h1-5,10,22H,6-9,12H2,(H,19,23)/p+1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).