N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide

C16H25N3O5S — CID 112991752

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H25N3O5S/c1-4-18-7-9-19(10-8-18)16(20)12-17-25(21,22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyXSGMPDCCZNJIHB-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.15
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 112991752) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID112991752
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H25N3O5S/c1-4-18-7-9-19(10-8-18)16(20)12-17-25(21,22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyXSGMPDCCZNJIHB-UHFFFAOYSA-N
XLogP0.15
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110287214
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoate
CID 2051858
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoic acid
CID 2051859
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 84575608
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide (CID 112991752) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide is CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is XSGMPDCCZNJIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-4-18-7-9-19(10-8-18)16(20)12-17-25(21,22)13-5-6-14(23-2)15(11-13)24-3/h5-6,11,17H,4,7-10,12H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112991752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).