N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide

C22H26N2O4S — CID 55428826

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C22H26N2O4S/c1-5-20-18(17-11-7-9-13-21(17)28-20)14-23(3)22(25)15-24(29(4,26)27)19-12-8-6-10-16(19)2/h6-13H,5,14-15H2,1-4H3
InChIKeyKVPAVCFYQWIYKF-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.73
Rot. Bonds7

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 55428826) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID55428826
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C22H26N2O4S/c1-5-20-18(17-11-7-9-13-21(17)28-20)14-23(3)22(25)15-24(29(4,26)27)19-12-8-6-10-16(19)2/h6-13H,5,14-15H2,1-4H3
InChIKeyKVPAVCFYQWIYKF-UHFFFAOYSA-N
XLogP3.73
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
CID 119694692
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 55358303
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
CID 78819087
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51111502
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633462
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119273983
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55400580
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125089246

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 55428826) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide is CCc1oc2ccccc2c1CN(C)C(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KVPAVCFYQWIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-5-20-18(17-11-7-9-13-21(17)28-20)14-23(3)22(25)15-24(29(4,26)27)19-12-8-6-10-16(19)2/h6-13H,5,14-15H2,1-4H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 55428826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).