N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide

C19H27N5O3S — CID 100640927

IUPACN-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21
InChIInChI=1S/C19H27N5O3S/c1-4-5-12-23(3)19(25)15-9-6-7-11-17(15)28(26,27)22-16-10-8-13-24-18(16)20-14(2)21-24/h6-7,9,11,16,22H,4-5,8,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyDCAFQSICUMNLDH-MRXNPFEDSA-N
MW405.52 g/mol
LogP2.27
Rot. Bonds7

About N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide

N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide (PubChem CID 100640927) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
PubChem CID100640927
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21
InChIInChI=1S/C19H27N5O3S/c1-4-5-12-23(3)19(25)15-9-6-7-11-17(15)28(26,27)22-16-10-8-13-24-18(16)20-14(2)21-24/h6-7,9,11,16,22H,4-5,8,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyDCAFQSICUMNLDH-MRXNPFEDSA-N
XLogP2.27
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
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CID 119971953
2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 95974643
2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 120725952
N-butyl-N-methyl-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924138
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 119965750
3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129398858
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043310
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide (CID 100640927) is N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21.
What is the InChIKey of N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide?
The InChIKey is DCAFQSICUMNLDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-4-5-12-23(3)19(25)15-9-6-7-11-17(15)28(26,27)22-16-10-8-13-24-18(16)20-14(2)21-24/h6-7,9,11,16,22H,4-5,8,10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide?
N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide is sourced from PubChem (CID 100640927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).