N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C18H27N3O4S — CID 6469773

IUPACN-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyJTLHYLBYQOYFJW-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.04
Rot. Bonds4

About N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 6469773) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID6469773
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyJTLHYLBYQOYFJW-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 6469773) is N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is JTLHYLBYQOYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).