N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide

C18H25N3OS2 — CID 28821030

IUPACN-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
SMILESCCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccs2)CC1
InChIInChI=1S/C18H25N3OS2/c1-3-20-8-10-21(11-9-20)17(15-6-4-12-23-15)14(2)19-18(22)16-7-5-13-24-16/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,19,22)/t14-,17+/m1/s1
InChIKeyABFUZOHJDLTPTO-PBHICJAKSA-N
MW363.55 g/mol
LogP3.31
Rot. Bonds6

About N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide

N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 28821030) has the molecular formula C18H25N3OS2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
PubChem CID28821030
Molecular FormulaC18H25N3OS2
Molecular Weight363.55 g/mol
Exact Mass363.14
IUPAC NameN-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
SMILESCCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccs2)CC1
InChIInChI=1S/C18H25N3OS2/c1-3-20-8-10-21(11-9-20)17(15-6-4-12-23-15)14(2)19-18(22)16-7-5-13-24-16/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,19,22)/t14-,17+/m1/s1
InChIKeyABFUZOHJDLTPTO-PBHICJAKSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181343
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 3245545
N-[(1R,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181337
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
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-[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
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
CID 6710505
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
CID 51631158
N-cyclohexyl-N'-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 7110700

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide (CID 28821030) is N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide is CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ABFUZOHJDLTPTO-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25N3OS2/c1-3-20-8-10-21(11-9-20)17(15-6-4-12-23-15)14(2)19-18(22)16-7-5-13-24-16/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,19,22)/t14-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide?
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 28821030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).