N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide

C23H26N2O5S — CID 60574663

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O5S/c1-3-25(17(2)22-16-18-7-4-5-10-21(18)30-22)23(26)19-8-6-9-20(15-19)31(27,28)24-11-13-29-14-12-24/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeyPNQGRAIXEYYKNY-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60574663) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60574663
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C23H26N2O5S/c1-3-25(17(2)22-16-18-7-4-5-10-21(18)30-22)23(26)19-8-6-9-20(15-19)31(27,28)24-11-13-29-14-12-24/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeyPNQGRAIXEYYKNY-UHFFFAOYSA-N
XLogP3.68
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
3-morpholin-4-ylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135893000
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
CID 2543495
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30885727
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 60574663) is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PNQGRAIXEYYKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-25(17(2)22-16-18-7-4-5-10-21(18)30-22)23(26)19-8-6-9-20(15-19)31(27,28)24-11-13-29-14-12-24/h4-10,15-17H,3,11-14H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 442.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60574663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).