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

C18H25N5O3S — CID 126768313

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESCc1nc2n(n1)CC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)CC2
InChIInChI=1S/C18H25N5O3S/c1-12(2)22(4)27(25,26)16-7-5-6-14(10-16)18(24)20-15-8-9-17-19-13(3)21-23(17)11-15/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,24)
InChIKeyZWYFCIUPRCBWSS-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.36
Rot. Bonds5

About 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (PubChem CID 126768313) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
PubChem CID126768313
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESCc1nc2n(n1)CC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)CC2
InChIInChI=1S/C18H25N5O3S/c1-12(2)22(4)27(25,26)16-7-5-6-14(10-16)18(24)20-15-8-9-17-19-13(3)21-23(17)11-15/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,24)
InChIKeyZWYFCIUPRCBWSS-UHFFFAOYSA-N
XLogP1.36
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
CID 119770741
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 55986626
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31893109
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
CID 97194696
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119574152
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126782451

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (CID 126768313) is 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is Cc1nc2n(n1)CC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)CC2.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The InChIKey is ZWYFCIUPRCBWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12(2)22(4)27(25,26)16-7-5-6-14(10-16)18(24)20-15-8-9-17-19-13(3)21-23(17)11-15/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,24).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide has a molecular weight of 391.50 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 126768313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).