N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

C16H25N3O3S — CID 1090893

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-17-10-12-18(13-11-17)16(20)14-19(23(2,21)22)9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3
InChIKeyNGCIDXIAOVYRLD-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.26
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 1090893) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID1090893
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-17-10-12-18(13-11-17)16(20)14-19(23(2,21)22)9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3
InChIKeyNGCIDXIAOVYRLD-UHFFFAOYSA-N
XLogP0.26
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (CID 1090893) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is CN1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is NGCIDXIAOVYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-17-10-12-18(13-11-17)16(20)14-19(23(2,21)22)9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 1090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).