N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H26N4O3S — CID 112761598

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccnn3C(C)C3CC3)cc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-4-12-21(13-5-16)31(29,30)26(3)20-10-8-19(9-11-20)23(28)25-22-14-15-24-27(22)17(2)18-6-7-18/h4-5,8-15,17-18H,6-7H2,1-3H3,(H,25,28)
InChIKeyKVNNLEJDGZZBEB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.24
Rot. Bonds7

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 112761598) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID112761598
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccnn3C(C)C3CC3)cc2)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-4-12-21(13-5-16)31(29,30)26(3)20-10-8-19(9-11-20)23(28)25-22-14-15-24-27(22)17(2)18-6-7-18/h4-5,8-15,17-18H,6-7H2,1-3H3,(H,25,28)
InChIKeyKVNNLEJDGZZBEB-UHFFFAOYSA-N
XLogP4.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 8016935
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55532553
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46559786

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 112761598) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccnn3C(C)C3CC3)cc2)cc1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is KVNNLEJDGZZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-4-12-21(13-5-16)31(29,30)26(3)20-10-8-19(9-11-20)23(28)25-22-14-15-24-27(22)17(2)18-6-7-18/h4-5,8-15,17-18H,6-7H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 112761598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).