N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide

C18H23N3O3S — CID 109058007

IUPACN-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-11-20-25(23,24)17-6-4-16(5-7-17)18(22)21(2)14-10-15-8-12-19-13-9-15/h4-9,12-13,20H,3,10-11,14H2,1-2H3
InChIKeyUHNGEASCRVWPNB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.08
Rot. Bonds8

About N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide

N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 109058007) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID109058007
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-11-20-25(23,24)17-6-4-16(5-7-17)18(22)21(2)14-10-15-8-12-19-13-9-15/h4-9,12-13,20H,3,10-11,14H2,1-2H3
InChIKeyUHNGEASCRVWPNB-UHFFFAOYSA-N
XLogP2.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
1-methyl-3-propyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507576
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide (CID 109058007) is N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is UHNGEASCRVWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-11-20-25(23,24)17-6-4-16(5-7-17)18(22)21(2)14-10-15-8-12-19-13-9-15/h4-9,12-13,20H,3,10-11,14H2,1-2H3.
What are the key properties of N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide?
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 109058007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).