N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide

C22H26N4O3S — CID 154806807

IUPACN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(C)ccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H26N4O3S/c1-14-7-6-8-16(11-14)26-20(13-19(25-26)22(3,4)5)24-21(27)17-12-15(2)9-10-18(17)30(23,28)29/h6-13H,1-5H3,(H,24,27)(H2,23,28,29)
InChIKeyJHIPCAXFQQZJHR-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.69
Rot. Bonds4

About N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide

N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide (PubChem CID 154806807) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
PubChem CID154806807
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(C)ccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H26N4O3S/c1-14-7-6-8-16(11-14)26-20(13-19(25-26)22(3,4)5)24-21(27)17-12-15(2)9-10-18(17)30(23,28)29/h6-13H,1-5H3,(H,24,27)(H2,23,28,29)
InChIKeyJHIPCAXFQQZJHR-UHFFFAOYSA-N
XLogP3.69
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
CID 46087955
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3,3-dimethylbutanamide
CID 42735718
tert-butyl N-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]carbamate
CID 101043408
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3311141
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55647721
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,3-dimethyl-N-propylbutanamide
CID 42735691
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42735713
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42732985
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide?
The IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide (CID 154806807) is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cc(C)ccc2S(N)(=O)=O)c1.
What is the InChIKey of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide?
The InChIKey is JHIPCAXFQQZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-7-6-8-16(11-14)26-20(13-19(25-26)22(3,4)5)24-21(27)17-12-15(2)9-10-18(17)30(23,28)29/h6-13H,1-5H3,(H,24,27)(H2,23,28,29).
What are the key properties of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide?
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide is sourced from PubChem (CID 154806807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).