N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C22H32N4O3S — CID 20858730

IUPACN-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H32N4O3S/c1-15-10-12-19(13-11-15)26(14-21(27)23-20-9-7-6-8-16(20)2)30(28,29)22-17(3)24-25(5)18(22)4/h10-13,16,20H,6-9,14H2,1-5H3,(H,23,27)
InChIKeyXREGRWFJKOBOJT-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.24
Rot. Bonds6

About N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 20858730) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID20858730
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H32N4O3S/c1-15-10-12-19(13-11-15)26(14-21(27)23-20-9-7-6-8-16(20)2)30(28,29)22-17(3)24-25(5)18(22)4/h10-13,16,20H,6-9,14H2,1-5H3,(H,23,27)
InChIKeyXREGRWFJKOBOJT-UHFFFAOYSA-N
XLogP3.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1-cyclohexylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804501
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309777
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9550907
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
CID 20855710
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 20858730) is N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is XREGRWFJKOBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-15-10-12-19(13-11-15)26(14-21(27)23-20-9-7-6-8-16(20)2)30(28,29)22-17(3)24-25(5)18(22)4/h10-13,16,20H,6-9,14H2,1-5H3,(H,23,27).
What are the key properties of N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 20858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).