2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide

C22H32N4O3S — CID 51134971

IUPAC2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C22H32N4O3S/c1-17-10-12-20(13-11-17)25-30(28,29)16-22(27)23-14-6-7-19-15-26(24-18(19)2)21-8-4-3-5-9-21/h3-5,8-9,15,17,20,25H,6-7,10-14,16H2,1-2H3,(H,23,27)
InChIKeyMRKWHRKHMORFST-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.73
Rot. Bonds9

About 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide

2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide (PubChem CID 51134971) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
PubChem CID51134971
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C22H32N4O3S/c1-17-10-12-20(13-11-17)25-30(28,29)16-22(27)23-14-6-7-19-15-26(24-18(19)2)21-8-4-3-5-9-21/h3-5,8-9,15,17,20,25H,6-7,10-14,16H2,1-2H3,(H,23,27)
InChIKeyMRKWHRKHMORFST-UHFFFAOYSA-N
XLogP2.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55721701
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473676
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 55719016
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-9H-xanthene-9-carboxamide
CID 55644599
ethyl 4-[N'-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162834
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473166
2-methyl-1-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide (CID 51134971) is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide?
The InChIKey is MRKWHRKHMORFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-17-10-12-20(13-11-17)25-30(28,29)16-22(27)23-14-6-7-19-15-26(24-18(19)2)21-8-4-3-5-9-21/h3-5,8-9,15,17,20,25H,6-7,10-14,16H2,1-2H3,(H,23,27).
What are the key properties of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide?
2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide has a molecular weight of 432.59 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 51134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).