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

C20H21NO4S — CID 46489933

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO4S/c1-13(2)26(23,24)17-10-8-15(9-11-17)20(22)21-14(3)19-12-16-6-4-5-7-18(16)25-19/h4-14H,1-3H3,(H,21,22)
InChIKeyBQNZEZFLYNAVDF-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.11
Rot. Bonds5

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

N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 46489933) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID46489933
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO4S/c1-13(2)26(23,24)17-10-8-15(9-11-17)20(22)21-14(3)19-12-16-6-4-5-7-18(16)25-19/h4-14H,1-3H3,(H,21,22)
InChIKeyBQNZEZFLYNAVDF-UHFFFAOYSA-N
XLogP4.11
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide (CID 46489933) is N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide is CC(NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is BQNZEZFLYNAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-13(2)26(23,24)17-10-8-15(9-11-17)20(22)21-14(3)19-12-16-6-4-5-7-18(16)25-19/h4-14H,1-3H3,(H,21,22).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 46489933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).