N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide

C18H23N3O5S — CID 55635317

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cn1
InChIInChI=1S/C18H23N3O5S/c1-13(2)21-27(23,24)16-6-4-5-14(11-16)18(22)20-15-7-8-17(19-12-15)26-10-9-25-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,20,22)
InChIKeyCQCLPEMUNDRCSM-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.05
Rot. Bonds9

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55635317) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55635317
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cn1
InChIInChI=1S/C18H23N3O5S/c1-13(2)21-27(23,24)16-6-4-5-14(11-16)18(22)20-15-7-8-17(19-12-15)26-10-9-25-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,20,22)
InChIKeyCQCLPEMUNDRCSM-UHFFFAOYSA-N
XLogP2.05
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.05
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-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46600294
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 47062724

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 55635317) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide is COCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CQCLPEMUNDRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13(2)21-27(23,24)16-6-4-5-14(11-16)18(22)20-15-7-8-17(19-12-15)26-10-9-25-3/h4-8,11-13,21H,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55635317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).