3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C20H27N3O2S — CID 3242103

IUPAC3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1cccc(C(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-15(21-20(24)16-6-4-7-17(14-16)25-3)19(18-8-5-13-26-18)23-11-9-22(2)10-12-23/h4-8,13-15,19H,9-12H2,1-3H3,(H,21,24)
InChIKeyOSFMMXHUNVOHRQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.86
Rot. Bonds6

About 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 3242103) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID3242103
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1cccc(C(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O2S/c1-15(21-20(24)16-6-4-7-17(14-16)25-3)19(18-8-5-13-26-18)23-11-9-22(2)10-12-23/h4-8,13-15,19H,9-12H2,1-3H3,(H,21,24)
InChIKeyOSFMMXHUNVOHRQ-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

AZ-Mtab, >=98% (hplc)
CID 49765077
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
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(6-Phenyl-hexyl)-carbamic acid 3-(3-carbamoyl-5-methyl-thiophen-2-yl)-phenyl ester
CID 46916520
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
N-Ethyl-4-[(3-methoxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306787
3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52948719
N-[2-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245998
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 3242103) is 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is COc1cccc(C(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is OSFMMXHUNVOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(21-20(24)16-6-4-7-17(14-16)25-3)19(18-8-5-13-26-18)23-11-9-22(2)10-12-23/h4-8,13-15,19H,9-12H2,1-3H3,(H,21,24).
What are the key properties of 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 373.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 3242103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).