N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide

C20H24N2O5S — CID 18118409

IUPACN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cccc(NS(C)(=O)=O)c1)OC(C)C2
InChIInChI=1S/C20H24N2O5S/c1-4-26-18-10-15-8-13(2)27-19(15)11-16(18)12-21-20(23)14-6-5-7-17(9-14)22-28(3,24)25/h5-7,9-11,13,22H,4,8,12H2,1-3H3,(H,21,23)
InChIKeyJJGZTUQHOBYWCW-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.71
Rot. Bonds7

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 18118409) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID18118409
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cccc(NS(C)(=O)=O)c1)OC(C)C2
InChIInChI=1S/C20H24N2O5S/c1-4-26-18-10-15-8-13(2)27-19(15)11-16(18)12-21-20(23)14-6-5-7-17(9-14)22-28(3,24)25/h5-7,9-11,13,22H,4,8,12H2,1-3H3,(H,21,23)
InChIKeyJJGZTUQHOBYWCW-UHFFFAOYSA-N
XLogP2.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]carbamate
CID 9401560
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 41095511
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide
CID 24550200
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 18126153
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398128
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide
CID 18274536
3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide
CID 24550214
5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide
CID 9398342
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-(3-fluorophenoxy)benzamide
CID 166328037
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9399027

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide (CID 18118409) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide is CCOc1cc2c(cc1CNC(=O)c1cccc(NS(C)(=O)=O)c1)OC(C)C2.
What is the InChIKey of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is JJGZTUQHOBYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-26-18-10-15-8-13(2)27-19(15)11-16(18)12-21-20(23)14-6-5-7-17(9-14)22-28(3,24)25/h5-7,9-11,13,22H,4,8,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide?
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 18118409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).