N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

C17H24N4O3S — CID 70740470

IUPACN-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1
InChIInChI=1S/C17H24N4O3S/c1-13(2)10-20-25(23,24)16-6-4-15(5-7-16)17(22)21(3)9-8-14-11-18-19-12-14/h4-7,11-13,20H,8-10H2,1-3H3,(H,18,19)
InChIKeyGPVXMSQGWICLLX-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.66
Rot. Bonds8

About N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 70740470) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID70740470
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1
InChIInChI=1S/C17H24N4O3S/c1-13(2)10-20-25(23,24)16-6-4-15(5-7-16)17(22)21(3)9-8-14-11-18-19-12-14/h4-7,11-13,20H,8-10H2,1-3H3,(H,18,19)
InChIKeyGPVXMSQGWICLLX-UHFFFAOYSA-N
XLogP1.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 17412557
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(1H-pyrazol-4-yl)prop-2-enamide
CID 52915265
N-methyl-4-(3-pyrazol-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 53561154
N-(oxolan-2-ylmethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
CID 70729296
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}sulfonyl)benzamide
CID 70764346
N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
CID 70772587
N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]-4-[(propylamino)sulfonyl]benzamide
CID 70783230
N-{[1-(2-fluorobenzoyl)piperidin-4-yl]methyl}-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806888
3-{1-[(3-Fluorophenyl)sulfonyl]-3-piperidyl}-N~1~-[(5-methyl-1H-pyrazol-4-YL)methyl]propanamide
CID 91913356

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (CID 70740470) is N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)CCc2cn[nH]c2)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is GPVXMSQGWICLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13(2)10-20-25(23,24)16-6-4-15(5-7-16)17(22)21(3)9-8-14-11-18-19-12-14/h4-7,11-13,20H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropylsulfamoyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 70740470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).