N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide

C20H29N3O4S — CID 55558241

IUPACN-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4S/c1-15-8-9-17(28(2,26)27)14-18(15)19(24)22-10-12-23(13-11-22)20(25)21-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25)
InChIKeyMXBNFOFIGSGPMY-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.20
Rot. Bonds3

About N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide (PubChem CID 55558241) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
PubChem CID55558241
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4S/c1-15-8-9-17(28(2,26)27)14-18(15)19(24)22-10-12-23(13-11-22)20(25)21-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25)
InChIKeyMXBNFOFIGSGPMY-UHFFFAOYSA-N
XLogP2.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide (CID 55558241) is N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide?
The InChIKey is MXBNFOFIGSGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15-8-9-17(28(2,26)27)14-18(15)19(24)22-10-12-23(13-11-22)20(25)21-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25).
What are the key properties of N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55558241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).