N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

C19H25N3O3S — CID 109059028

IUPACN-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-15(2)21-19(23)17-5-7-18(8-6-17)26(24,25)22(3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,23)
InChIKeyQTYWLLCPJXKJLR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.47
Rot. Bonds8

About N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (PubChem CID 109059028) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
PubChem CID109059028
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-15(2)21-19(23)17-5-7-18(8-6-17)26(24,25)22(3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,23)
InChIKeyQTYWLLCPJXKJLR-UHFFFAOYSA-N
XLogP2.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109060496
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (CID 109059028) is N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The InChIKey is QTYWLLCPJXKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-15(2)21-19(23)17-5-7-18(8-6-17)26(24,25)22(3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,23).
What are the key properties of N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is sourced from PubChem (CID 109059028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).