4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

C18H21N3O5S — CID 119179721

IUPAC4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-21(4-2)27(25,26)15-7-5-13(6-8-15)12-20-17(22)14-9-10-19-16(11-14)18(23)24/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCUARPEJTHNJPPL-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.74
Rot. Bonds8

About 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119179721) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119179721
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-21(4-2)27(25,26)15-7-5-13(6-8-15)12-20-17(22)14-9-10-19-16(11-14)18(23)24/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCUARPEJTHNJPPL-UHFFFAOYSA-N
XLogP1.74
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119179721) is 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CUARPEJTHNJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-3-21(4-2)27(25,26)15-7-5-13(6-8-15)12-20-17(22)14-9-10-19-16(11-14)18(23)24/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 391.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119179721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).