N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide

C23H26N2O4S — CID 71737633

IUPACN-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide
SMILESCCN(CC1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H26N2O4S/c1-2-24(23(26)19-6-4-3-5-7-19)17-18-10-13-25(14-11-18)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,18H,2,10-11,13-14,17H2,1H3
InChIKeyDUHQEADPKCDHMQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.00
Rot. Bonds6

About N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide

N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide (PubChem CID 71737633) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide
PubChem CID71737633
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide
SMILESCCN(CC1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H26N2O4S/c1-2-24(23(26)19-6-4-3-5-7-19)17-18-10-13-25(14-11-18)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,18H,2,10-11,13-14,17H2,1H3
InChIKeyDUHQEADPKCDHMQ-UHFFFAOYSA-N
XLogP4.00
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
2-chloro-N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide
CID 86939438
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide
CID 119987844
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 52551951
N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 91950528
5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid
CID 146421105
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-diethylbenzamide
CID 17418791

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide?
The IUPAC name of N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide (CID 71737633) is N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide.
What is the SMILES notation for N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide?
The canonical SMILES for N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide is CCN(CC1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide?
The InChIKey is DUHQEADPKCDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-24(23(26)19-6-4-3-5-7-19)17-18-10-13-25(14-11-18)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,18H,2,10-11,13-14,17H2,1H3.
What are the key properties of N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide?
N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide is sourced from PubChem (CID 71737633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).