N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C23H31N3O5S — CID 2912073

IUPACN-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O5S/c1-5-31-20-12-10-19(11-13-20)26(32(4,28)29)18(2)23(27)25-16-14-24(15-17-25)21-8-6-7-9-22(21)30-3/h6-13,18H,5,14-17H2,1-4H3
InChIKeyISTRKOOPOMZVBJ-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.60
Rot. Bonds8

About N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 2912073) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID2912073
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O5S/c1-5-31-20-12-10-19(11-13-20)26(32(4,28)29)18(2)23(27)25-16-14-24(15-17-25)21-8-6-7-9-22(21)30-3/h6-13,18H,5,14-17H2,1-4H3
InChIKeyISTRKOOPOMZVBJ-UHFFFAOYSA-N
XLogP2.60
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 2967691
N-(4-ethoxyphenyl)-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 1163510
N-(4-chlorophenyl)-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 42561149
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide
CID 41149870
N-(4-ethoxyphenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 3147852
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methoxyphenyl)methanesulfonamide
CID 2915624
4-ethoxy-N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30144466
N-(4-ethoxyphenyl)-3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4518624
ethyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 132672880
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 2912073) is N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is CCOc1ccc(N(C(C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is ISTRKOOPOMZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-5-31-20-12-10-19(11-13-20)26(32(4,28)29)18(2)23(27)25-16-14-24(15-17-25)21-8-6-7-9-22(21)30-3/h6-13,18H,5,14-17H2,1-4H3.
What are the key properties of N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 461.58 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 2912073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).