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

C21H30N4O3S — CID 20858715

IUPACN-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H30N4O3S/c1-15-10-12-19(13-11-15)25(14-20(26)22-18-8-6-5-7-9-18)29(27,28)21-16(2)23-24(4)17(21)3/h10-13,18H,5-9,14H2,1-4H3,(H,22,26)
InChIKeyNKTSGBMHBMXHEB-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.99
Rot. Bonds6

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

N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 20858715) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID20858715
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H30N4O3S/c1-15-10-12-19(13-11-15)25(14-20(26)22-18-8-6-5-7-9-18)29(27,28)21-16(2)23-24(4)17(21)3/h10-13,18H,5-9,14H2,1-4H3,(H,22,26)
InChIKeyNKTSGBMHBMXHEB-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.99
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-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 20858715) is N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is NKTSGBMHBMXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-15-10-12-19(13-11-15)25(14-20(26)22-18-8-6-5-7-9-18)29(27,28)21-16(2)23-24(4)17(21)3/h10-13,18H,5-9,14H2,1-4H3,(H,22,26).
What are the key properties of N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 418.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 20858715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).