N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C17H27N3O5S — CID 1090683

IUPACN-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O5S/c1-5-18-8-10-19(11-9-18)17(21)13-20(26(4,22)23)15-12-14(24-2)6-7-16(15)25-3/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyRHRCSNWBMAPPFH-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.63
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 1090683) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID1090683
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O5S/c1-5-18-8-10-19(11-9-18)17(21)13-20(26(4,22)23)15-12-14(24-2)6-7-16(15)25-3/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyRHRCSNWBMAPPFH-UHFFFAOYSA-N
XLogP0.63
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 1090683) is N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is RHRCSNWBMAPPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-5-18-8-10-19(11-9-18)17(21)13-20(26(4,22)23)15-12-14(24-2)6-7-16(15)25-3/h6-7,12H,5,8-11,13H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1090683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).