N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide

C18H29N3O6S — CID 16881351

IUPACN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O6S/c1-5-20-7-9-21(10-8-20)28(23,24)11-6-19-18(22)14-12-15(25-2)17(27-4)16(13-14)26-3/h12-13H,5-11H2,1-4H3,(H,19,22)
InChIKeyUZSBBGLTBVQAQG-UHFFFAOYSA-N
MW415.51 g/mol
LogP0.41
Rot. Bonds9

About N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide

N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide (PubChem CID 16881351) has the molecular formula C18H29N3O6S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
PubChem CID16881351
Molecular FormulaC18H29N3O6S
Molecular Weight415.51 g/mol
Exact Mass415.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O6S/c1-5-20-7-9-21(10-8-20)28(23,24)11-6-19-18(22)14-12-15(25-2)17(27-4)16(13-14)26-3/h12-13H,5-11H2,1-4H3,(H,19,22)
InChIKeyUZSBBGLTBVQAQG-UHFFFAOYSA-N
XLogP0.41
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3-chloro-4-ethoxy-5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 46455832
2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 119066087
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
oxalic acid;1-propylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 90481320
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
CID 7618765
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide (CID 16881351) is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide is CCN1CCN(S(=O)(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is UZSBBGLTBVQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O6S/c1-5-20-7-9-21(10-8-20)28(23,24)11-6-19-18(22)14-12-15(25-2)17(27-4)16(13-14)26-3/h12-13H,5-11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 415.51 g/mol, XLogP of 0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16881351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).