N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide

C17H27N3O5S — CID 108891805

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-4-25-15-6-5-14(13-16(15)24-2)7-8-18-17(21)19-9-11-20(12-10-19)26(3,22)23/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyCDHUTNQWNVNAOD-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 108891805) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID108891805
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-4-25-15-6-5-14(13-16(15)24-2)7-8-18-17(21)19-9-11-20(12-10-19)26(3,22)23/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyCDHUTNQWNVNAOD-UHFFFAOYSA-N
XLogP0.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108891587
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534697
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 108891805) is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide is CCOc1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is CDHUTNQWNVNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-4-25-15-6-5-14(13-16(15)24-2)7-8-18-17(21)19-9-11-20(12-10-19)26(3,22)23/h5-6,13H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 108891805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).