N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide

C22H29N3O5S — CID 3245222

IUPACN-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)19-10-8-18(29-2)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyBIOGMZQXYPBALP-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.43
Rot. Bonds9

About N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide

N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 3245222) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID3245222
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)19-10-8-18(29-2)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyBIOGMZQXYPBALP-UHFFFAOYSA-N
XLogP2.43
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

SB 258585
CID 3248571
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44431560
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (CID 3245222) is N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is BIOGMZQXYPBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)19-10-8-18(29-2)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 447.56 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 3245222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).