4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide

C22H26N4O3S — CID 150660844

IUPAC4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
SMILESCCCn1cc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cn1
InChIInChI=1S/C22H26N4O3S/c1-4-11-26-15-18(14-24-26)13-23-22(27)19-8-7-17(3)21(12-19)25-30(28,29)20-9-5-16(2)6-10-20/h5-10,12,14-15,25H,4,11,13H2,1-3H3,(H,23,27)
InChIKeyJDVWFOCGXILKDW-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.64
Rot. Bonds8

About 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide (PubChem CID 150660844) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
PubChem CID150660844
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
SMILESCCCn1cc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cn1
InChIInChI=1S/C22H26N4O3S/c1-4-11-26-15-18(14-24-26)13-23-22(27)19-8-7-17(3)21(12-19)25-30(28,29)20-9-5-16(2)6-10-20/h5-10,12,14-15,25H,4,11,13H2,1-3H3,(H,23,27)
InChIKeyJDVWFOCGXILKDW-UHFFFAOYSA-N
XLogP3.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630370
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888194
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888076
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630388
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide (CID 150660844) is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide is CCCn1cc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cn1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The InChIKey is JDVWFOCGXILKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-11-26-15-18(14-24-26)13-23-22(27)19-8-7-17(3)21(12-19)25-30(28,29)20-9-5-16(2)6-10-20/h5-10,12,14-15,25H,4,11,13H2,1-3H3,(H,23,27).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(1-propylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 150660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).