N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide

C23H33N3O4S — CID 51631158

IUPACN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C23H33N3O4S/c1-6-25-9-11-26(12-10-25)21(20-8-7-13-31-20)16(2)24-23(27)17-14-18(28-3)22(30-5)19(15-17)29-4/h7-8,13-16,21H,6,9-12H2,1-5H3,(H,24,27)/t16-,21+/m0/s1
InChIKeyAYZDKTKDPGAAMZ-HRAATJIYSA-N
MW447.60 g/mol
LogP3.27
Rot. Bonds9

About N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide

N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 51631158) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID51631158
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C23H33N3O4S/c1-6-25-9-11-26(12-10-25)21(20-8-7-13-31-20)16(2)24-23(27)17-14-18(28-3)22(30-5)19(15-17)29-4/h7-8,13-16,21H,6,9-12H2,1-5H3,(H,24,27)/t16-,21+/m0/s1
InChIKeyAYZDKTKDPGAAMZ-HRAATJIYSA-N
XLogP3.27
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide
CID 5310009
3,4,5-trimethoxy-N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144108
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-[(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]pyridine-3-carboxamide
CID 29181317
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
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-thiophen-2-ylacetamide
CID 6710505
4-ethoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110678
4-ethoxy-N-[(1S,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110680
N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110824

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide (CID 51631158) is N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide is CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is AYZDKTKDPGAAMZ-HRAATJIYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-6-25-9-11-26(12-10-25)21(20-8-7-13-31-20)16(2)24-23(27)17-14-18(28-3)22(30-5)19(15-17)29-4/h7-8,13-16,21H,6,9-12H2,1-5H3,(H,24,27)/t16-,21+/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide?
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 447.60 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 51631158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).