N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide

C21H34N4O2S — CID 7110700

IUPACN-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H34N4O2S/c1-3-24-11-13-25(14-12-24)19(18-10-7-15-28-18)16(2)22-20(26)21(27)23-17-8-5-4-6-9-17/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3,(H,22,26)(H,23,27)/t16-,19-/m0/s1
InChIKeyTZYWEABBBFIBJV-LPHOPBHVSA-N
MW406.60 g/mol
LogP2.38
Rot. Bonds6

About N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide

N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide (PubChem CID 7110700) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
PubChem CID7110700
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC NameN-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H34N4O2S/c1-3-24-11-13-25(14-12-24)19(18-10-7-15-28-18)16(2)22-20(26)21(27)23-17-8-5-4-6-9-17/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3,(H,22,26)(H,23,27)/t16-,19-/m0/s1
InChIKeyTZYWEABBBFIBJV-LPHOPBHVSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-2-ylmethyl)oxamide
CID 92665861
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 92665853
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
CID 6710505
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 28820914
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
CID 28821010
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
CID 51631158
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide
CID 5310009
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 29181317

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide?
The IUPAC name of N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide (CID 7110700) is N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide?
The canonical SMILES for N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide is CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide?
The InChIKey is TZYWEABBBFIBJV-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-3-24-11-13-25(14-12-24)19(18-10-7-15-28-18)16(2)22-20(26)21(27)23-17-8-5-4-6-9-17/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3,(H,22,26)(H,23,27)/t16-,19-/m0/s1.
What are the key properties of N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide?
N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide has a molecular weight of 406.60 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide is sourced from PubChem (CID 7110700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).