1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide

C22H26N2O4S — CID 2919510

IUPAC1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyMKUMTSLGVISSNT-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.86
Rot. Bonds5

About 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide

1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide (PubChem CID 2919510) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide
PubChem CID2919510
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyMKUMTSLGVISSNT-UHFFFAOYSA-N
XLogP3.86
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-{[3-methyl-2-(piperidin-1-ylcarbonyl)-1-benzofuran-5-yl]sulfonyl}piperidine
CID 3241456
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,N-diethyl-3-methyl-1-benzofuran-2-carboxamide
CID 4130590
N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 11496202
N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxamide
CID 15991674
2-(Dibenzofuran-2-ylsulfonylamino)-5-oxo-5-(2-phenylethylamino)pentanoic acid
CID 21700785
1,1'-(Dibenzo[b,d]furan-2,8-diyldisulfonyl)dipiperidine
CID 2925016
N-benzyl-5-(3,5-dimethylpiperidin-1-ylsulfonyl)-N-ethyl-3-methylbenzofuran-2-carboxamide
CID 4055807
N-benzyl-N-ethyl-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
CID 20967880
2-[4-(Dibenzofuran-3-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]guanidine
CID 44380281
2-[4-(Dibenzofuran-4-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]guanidine
CID 44380282
5-(3,5-dimethylpiperidin-1-ylsulfonyl)-N,3-dimethyl-N-phenethylbenzofuran-2-carboxamide
CID 44454162
1-[5-(Diaminomethylideneamino)-2-(dibenzofuran-2-ylsulfonylamino)pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 44459888

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide (CID 2919510) is 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1.
What is the InChIKey of 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is MKUMTSLGVISSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3.
What are the key properties of 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide?
1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-ylsulfonyl-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 2919510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).