2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

C27H33N3O4S — CID 20866504

IUPAC2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccc(N2CCN(C(c3cccs3)C(C)NC(=O)c3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C27H33N3O4S/c1-19(28-27(31)22-7-5-8-23(33-3)26(22)34-4)25(24-9-6-18-35-24)30-16-14-29(15-17-30)20-10-12-21(32-2)13-11-20/h5-13,18-19,25H,14-17H2,1-4H3,(H,28,31)
InChIKeyAXZPGDFBCOMVOG-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.46
Rot. Bonds9

About 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 20866504) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID20866504
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccc(N2CCN(C(c3cccs3)C(C)NC(=O)c3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C27H33N3O4S/c1-19(28-27(31)22-7-5-8-23(33-3)26(22)34-4)25(24-9-6-18-35-24)30-16-14-29(15-17-30)20-10-12-21(32-2)13-11-20/h5-13,18-19,25H,14-17H2,1-4H3,(H,28,31)
InChIKeyAXZPGDFBCOMVOG-UHFFFAOYSA-N
XLogP4.46
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
3,4,5-trimethoxy-N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144108
4-methoxy-N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144088
4-fluoro-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 20866508
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 20866514
N-[(2-methoxyphenyl)methyl]-N'-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821390
4-methoxy-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144112
2-methoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665816
N-[(1R,2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92666009
2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145
2-methoxy-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 3238588
2-chloro-N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 129366046

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (CID 20866504) is 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is COc1ccc(N2CCN(C(c3cccs3)C(C)NC(=O)c3cccc(OC)c3OC)CC2)cc1.
What is the InChIKey of 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is AXZPGDFBCOMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-19(28-27(31)22-7-5-8-23(33-3)26(22)34-4)25(24-9-6-18-35-24)30-16-14-29(15-17-30)20-10-12-21(32-2)13-11-20/h5-13,18-19,25H,14-17H2,1-4H3,(H,28,31).
What are the key properties of 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 495.65 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 20866504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).