3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

C20H25N3O5S — CID 55744605

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cn1
InChIInChI=1S/C20H25N3O5S/c1-27-9-10-28-19-8-7-16(12-21-19)13-22-20(24)17-3-2-4-18(11-17)29(25,26)23-14-15-5-6-15/h2-4,7-8,11-12,15,23H,5-6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyOMEUDOABHYILQP-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.73
Rot. Bonds11

About 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55744605) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55744605
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cn1
InChIInChI=1S/C20H25N3O5S/c1-27-9-10-28-19-8-7-16(12-21-19)13-22-20(24)17-3-2-4-18(11-17)29(25,26)23-14-15-5-6-15/h2-4,7-8,11-12,15,23H,5-6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyOMEUDOABHYILQP-UHFFFAOYSA-N
XLogP1.73
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55747377
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55783694
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744256
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
CID 55783632
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55749828
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (CID 55744605) is 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is COCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)cn1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is OMEUDOABHYILQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-27-9-10-28-19-8-7-16(12-21-19)13-22-20(24)17-3-2-4-18(11-17)29(25,26)23-14-15-5-6-15/h2-4,7-8,11-12,15,23H,5-6,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55744605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).