N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide

C26H31N3O2S — CID 16806583

IUPACN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide
SMILESCOc1ccccc1N1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C26H31N3O2S/c1-19-8-6-9-21(18-19)26(30)27-20(2)25(24-12-7-17-32-24)29-15-13-28(14-16-29)22-10-4-5-11-23(22)31-3/h4-12,17-18,20,25H,13-16H2,1-3H3,(H,27,30)
InChIKeyQGFLNGCVAWSCID-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.75
Rot. Bonds7

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

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide (PubChem CID 16806583) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide
PubChem CID16806583
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide
SMILESCOc1ccccc1N1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C26H31N3O2S/c1-19-8-6-9-21(18-19)26(30)27-20(2)25(24-12-7-17-32-24)29-15-13-28(14-16-29)22-10-4-5-11-23(22)31-3/h4-12,17-18,20,25H,13-16H2,1-3H3,(H,27,30)
InChIKeyQGFLNGCVAWSCID-UHFFFAOYSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 28821525
4-methoxy-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144112
N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92666033
N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 92666028
3-fluoro-N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665972
3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665971
2-(3,4-dimethoxyphenyl)-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]acetamide
CID 28821534
N-[(4-fluorophenyl)methyl]-N'-[(1S,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821485
N-[(4-methoxyphenyl)methyl]-N'-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866521
2-methoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665816
N-[2-(diethylamino)ethyl]-N'-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821456
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 5310496

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide (CID 16806583) is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide is COc1ccccc1N1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide?
The InChIKey is QGFLNGCVAWSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-19-8-6-9-21(18-19)26(30)27-20(2)25(24-12-7-17-32-24)29-15-13-28(14-16-29)22-10-4-5-11-23(22)31-3/h4-12,17-18,20,25H,13-16H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide?
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide has a molecular weight of 449.62 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 16806583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).