N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

C28H29N3O3 — CID 92765199

IUPACN-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(22-13-7-8-14-23(22)33-2)27-25(21-12-6-9-15-24(21)34-27)29-28(32)20-10-4-3-5-11-20/h3-15,26H,16-19H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyHXNAPFOXMSPUQR-SANMLTNESA-N
MW455.56 g/mol
LogP5.03
Rot. Bonds6

About N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 92765199) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID92765199
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(22-13-7-8-14-23(22)33-2)27-25(21-12-6-9-15-24(21)34-27)29-28(32)20-10-4-3-5-11-20/h3-15,26H,16-19H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyHXNAPFOXMSPUQR-SANMLTNESA-N
XLogP5.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501051
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 46270093
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1178736
N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500957
N-[2-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 92765199) is N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is HXNAPFOXMSPUQR-SANMLTNESA-N. The full InChI is InChI=1S/C28H29N3O3/c1-30-16-18-31(19-17-30)26(22-13-7-8-14-23(22)33-2)27-25(21-12-6-9-15-24(21)34-27)29-28(32)20-10-4-3-5-11-20/h3-15,26H,16-19H2,1-2H3,(H,29,32)/t26-/m0/s1.
What are the key properties of N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 92765199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).