2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide

C16H23N5O2S+2 — CID 9450347

IUPAC2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CC[NH+](CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H21N5O2S/c17-9-12-3-8-24-16(12)19-15(23)11-21-6-4-20(5-7-21)10-14(22)18-13-1-2-13/h3,8,13H,1-2,4-7,10-11H2,(H,18,22)(H,19,23)/p+2
InChIKeyFIPHFXRPZNXJHL-UHFFFAOYSA-P
MW349.46 g/mol
LogP-2.38
Rot. Bonds6

About 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide

2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide (PubChem CID 9450347) has the molecular formula C16H23N5O2S+2 and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
PubChem CID9450347
Molecular FormulaC16H23N5O2S+2
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CC[NH+](CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H21N5O2S/c17-9-12-3-8-24-16(12)19-15(23)11-21-6-4-20(5-7-21)10-14(22)18-13-1-2-13/h3,8,13H,1-2,4-7,10-11H2,(H,18,22)(H,19,23)/p+2
InChIKeyFIPHFXRPZNXJHL-UHFFFAOYSA-P
XLogP-2.38
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2508369
ethyl (3S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 2540011
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 3912539
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide
CID 2397612
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945166
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide (CID 9450347) is 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide is N#Cc1ccsc1NC(=O)C[NH+]1CC[NH+](CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The InChIKey is FIPHFXRPZNXJHL-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H21N5O2S/c17-9-12-3-8-24-16(12)19-15(23)11-21-6-4-20(5-7-21)10-14(22)18-13-1-2-13/h3,8,13H,1-2,4-7,10-11H2,(H,18,22)(H,19,23)/p+2.
What are the key properties of 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide has a molecular weight of 349.46 g/mol, XLogP of -2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 9450347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).