N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

C17H27N3O4S — CID 110343167

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCOc1ccccc1CCNC(=O)CCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O4S/c1-19-10-12-20(13-11-19)25(22,23)14-8-17(21)18-9-7-15-5-3-4-6-16(15)24-2/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeySYIQONZFXDVAAM-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.32
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (PubChem CID 110343167) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
PubChem CID110343167
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCOc1ccccc1CCNC(=O)CCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O4S/c1-19-10-12-20(13-11-19)25(22,23)14-8-17(21)18-9-7-15-5-3-4-6-16(15)24-2/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeySYIQONZFXDVAAM-UHFFFAOYSA-N
XLogP0.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539558
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343157

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (CID 110343167) is N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is COc1ccccc1CCNC(=O)CCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The InChIKey is SYIQONZFXDVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-19-10-12-20(13-11-19)25(22,23)14-8-17(21)18-9-7-15-5-3-4-6-16(15)24-2/h3-6H,7-14H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 110343167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).