N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

C20H27N3O3S — CID 109065020

IUPACN-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H27N3O3S/c1-4-5-14-22(2)20(24)18-7-6-8-19(16-18)27(25,26)23(3)15-11-17-9-12-21-13-10-17/h6-10,12-13,16H,4-5,11,14-15H2,1-3H3
InChIKeySBRQWLMWKNMKFX-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.82
Rot. Bonds9

About N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (PubChem CID 109065020) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
PubChem CID109065020
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H27N3O3S/c1-4-5-14-22(2)20(24)18-7-6-8-19(16-18)27(25,26)23(3)15-11-17-9-12-21-13-10-17/h6-10,12-13,16H,4-5,11,14-15H2,1-3H3
InChIKeySBRQWLMWKNMKFX-UHFFFAOYSA-N
XLogP2.82
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
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-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 109065532
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (CID 109065020) is N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The InChIKey is SBRQWLMWKNMKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-5-14-22(2)20(24)18-7-6-8-19(16-18)27(25,26)23(3)15-11-17-9-12-21-13-10-17/h6-10,12-13,16H,4-5,11,14-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is sourced from PubChem (CID 109065020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).