5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide

C37H50N4O5 — CID 46238229

IUPAC5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1
InChIInChI=1S/C37H50N4O5/c1-44-32-11-12-33-30(25-32)26-34(46-33)35(42)39-37(15-5-6-16-37)36(43)38-31(24-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)27-29-13-22-45-23-14-29/h2-4,8-9,11-12,25-26,29,31H,5-7,10,13-24,27H2,1H3,(H,38,43)(H,39,42)/t31-/m0/s1
InChIKeyMWXNEDJGFIJNMF-HKBQPEDESA-N
MW630.83 g/mol
LogP5.04
Rot. Bonds13

About 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide

5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 46238229) has the molecular formula C37H50N4O5 and a molecular weight of 630.83 g/mol. Its IUPAC name is 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID46238229
Molecular FormulaC37H50N4O5
Molecular Weight630.83 g/mol
Exact Mass630.38
IUPAC Name5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1
InChIInChI=1S/C37H50N4O5/c1-44-32-11-12-33-30(25-32)26-34(46-33)35(42)39-37(15-5-6-16-37)36(43)38-31(24-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)27-29-13-22-45-23-14-29/h2-4,8-9,11-12,25-26,29,31H,5-7,10,13-24,27H2,1H3,(H,38,43)(H,39,42)/t31-/m0/s1
InChIKeyMWXNEDJGFIJNMF-HKBQPEDESA-N
XLogP5.04
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.83
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Cmdc.202100576, 23b
CID 146362646
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 162763894
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635500
5-prop-2-enoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166636412
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-butoxyphenyl)-1-benzofuran-2-carboxamide
CID 168269389
7-methoxy-N-(2-morpholinoethyl)benzofuran-2-carboxamide
CID 6472686
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 4883248
N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238091
5-chloro-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238093
5-methyl-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238232
5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 2474196
5-methoxy-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide
CID 2561213

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide (CID 46238229) is 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1.
What is the InChIKey of 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is MWXNEDJGFIJNMF-HKBQPEDESA-N. The full InChI is InChI=1S/C37H50N4O5/c1-44-32-11-12-33-30(25-32)26-34(46-33)35(42)39-37(15-5-6-16-37)36(43)38-31(24-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)27-29-13-22-45-23-14-29/h2-4,8-9,11-12,25-26,29,31H,5-7,10,13-24,27H2,1H3,(H,38,43)(H,39,42)/t31-/m0/s1.
What are the key properties of 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide?
5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 630.83 g/mol, XLogP of 5.04, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46238229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).