N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

C19H29N3O3S — CID 1021983

IUPACN-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22(18-10-6-3-7-11-18)16-19(23)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3
InChIKeyXQUNUTAIHUZEEC-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.93
Rot. Bonds5

About N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 1021983) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID1021983
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22(18-10-6-3-7-11-18)16-19(23)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3
InChIKeyXQUNUTAIHUZEEC-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 1021983) is N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is XQUNUTAIHUZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)22(18-10-6-3-7-11-18)16-19(23)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3.
What are the key properties of N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 1021983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).