N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide

C22H32N6O3S — CID 55885108

IUPACN-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESCc1cccc(-n2nnc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c2C)c1
InChIInChI=1S/C22H32N6O3S/c1-17-8-7-11-20(16-17)28-18(2)21(23-24-28)22(29)26-12-14-27(15-13-26)32(30,31)25(3)19-9-5-4-6-10-19/h7-8,11,16,19H,4-6,9-10,12-15H2,1-3H3
InChIKeyKXVPWDPECXCIGE-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.15
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide (PubChem CID 55885108) has the molecular formula C22H32N6O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide
PubChem CID55885108
Molecular FormulaC22H32N6O3S
Molecular Weight460.60 g/mol
Exact Mass460.23
IUPAC NameN-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESCc1cccc(-n2nnc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c2C)c1
InChIInChI=1S/C22H32N6O3S/c1-17-8-7-11-20(16-17)28-18(2)21(23-24-28)22(29)26-12-14-27(15-13-26)32(30,31)25(3)19-9-5-4-6-10-19/h7-8,11,16,19H,4-6,9-10,12-15H2,1-3H3
InChIKeyKXVPWDPECXCIGE-UHFFFAOYSA-N
XLogP2.15
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55871321
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412
4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 55599229
1-[2-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]ethanone
CID 167977732
(3-methoxyphenyl)-[4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 55885758
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55857703
3-methyl-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256946
[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55876005
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
N-cyclohexyl-4-(3,4-diethoxybenzoyl)-N-methylpiperazine-1-sulfonamide
CID 55599312

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide (CID 55885108) is N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide is Cc1cccc(-n2nnc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c2C)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide?
The InChIKey is KXVPWDPECXCIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3S/c1-17-8-7-11-20(16-17)28-18(2)21(23-24-28)22(29)26-12-14-27(15-13-26)32(30,31)25(3)19-9-5-4-6-10-19/h7-8,11,16,19H,4-6,9-10,12-15H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide has a molecular weight of 460.60 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55885108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).