N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide

C22H34N4O4S — CID 55609615

IUPACN-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O4S/c1-17(2)21(27)23-19-11-9-18(10-12-19)22(28)25-13-15-26(16-14-25)31(29,30)24(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,27)
InChIKeyGXJFGEABBNAYRE-UHFFFAOYSA-N
MW450.61 g/mol
LogP2.55
Rot. Bonds6

About N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide

N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide (PubChem CID 55609615) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide
PubChem CID55609615
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC NameN-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O4S/c1-17(2)21(27)23-19-11-9-18(10-12-19)22(28)25-13-15-26(16-14-25)31(29,30)24(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,27)
InChIKeyGXJFGEABBNAYRE-UHFFFAOYSA-N
XLogP2.55
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
N-cyclohexyl-N-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonamide
CID 34107789
N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)benzoyl]piperazine-1-sulfonamide
CID 46598064
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 55605200
N-cyclohexyl-4-(3,4-diethoxybenzoyl)-N-methylpiperazine-1-sulfonamide
CID 55599312
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 46407162
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967374

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide (CID 55609615) is N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide?
The InChIKey is GXJFGEABBNAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-17(2)21(27)23-19-11-9-18(10-12-19)22(28)25-13-15-26(16-14-25)31(29,30)24(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide?
N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide has a molecular weight of 450.61 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55609615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).