N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C21H20N2O4 — CID 124727390

IUPACN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)oc12
InChIInChI=1S/C21H20N2O4/c1-23-9-8-13-10-14(6-7-16(13)23)17(24)12-22-21(25)19-11-15-4-3-5-18(26-2)20(15)27-19/h3-11,17,24H,12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyLCVNTWDTBQLZNJ-QGZVFWFLSA-N
MW364.40 g/mol
LogP3.40
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 124727390) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID124727390
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)oc12
InChIInChI=1S/C21H20N2O4/c1-23-9-8-13-10-14(6-7-16(13)23)17(24)12-22-21(25)19-11-15-4-3-5-18(26-2)20(15)27-19/h3-11,17,24H,12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyLCVNTWDTBQLZNJ-QGZVFWFLSA-N
XLogP3.40
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 124727390) is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)oc12.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is LCVNTWDTBQLZNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23-9-8-13-10-14(6-7-16(13)23)17(24)12-22-21(25)19-11-15-4-3-5-18(26-2)20(15)27-19/h3-11,17,24H,12H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124727390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).