N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C22H24N2O5S — CID 55397690

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)oc12
InChIInChI=1S/C22H24N2O5S/c1-4-28-19-7-5-6-16-13-20(29-21(16)19)14(2)23-22(25)17-8-9-18-15(12-17)10-11-24(18)30(3,26)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,25)
InChIKeyKCBCYQUXTNGGJP-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55397690) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55397690
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)oc12
InChIInChI=1S/C22H24N2O5S/c1-4-28-19-7-5-6-16-13-20(29-21(16)19)14(2)23-22(25)17-8-9-18-15(12-17)10-11-24(18)30(3,26)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,25)
InChIKeyKCBCYQUXTNGGJP-UHFFFAOYSA-N
XLogP3.64
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55595616
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43073936
1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236141
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55588399

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55397690) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCOc1cccc2cc(C(C)NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is KCBCYQUXTNGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-4-28-19-7-5-6-16-13-20(29-21(16)19)14(2)23-22(25)17-8-9-18-15(12-17)10-11-24(18)30(3,26)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).