N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

C26H35N3O3S — CID 2952237

IUPACN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C26H35N3O3S/c1-33(31,32)29(24-15-9-4-10-16-24)21-25(30)27-17-19-28(20-18-27)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,24,26H,4,9-10,15-21H2,1H3
InChIKeyGCHSMGRXPPYJBH-UHFFFAOYSA-N
MW469.65 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (PubChem CID 2952237) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
PubChem CID2952237
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C26H35N3O3S/c1-33(31,32)29(24-15-9-4-10-16-24)21-25(30)27-17-19-28(20-18-27)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,24,26H,4,9-10,15-21H2,1H3
InChIKeyGCHSMGRXPPYJBH-UHFFFAOYSA-N
XLogP3.51
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (CID 2952237) is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The InChIKey is GCHSMGRXPPYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-33(31,32)29(24-15-9-4-10-16-24)21-25(30)27-17-19-28(20-18-27)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,24,26H,4,9-10,15-21H2,1H3.
What are the key properties of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide has a molecular weight of 469.65 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 2952237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).