4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide

C21H29N3O7S — CID 55793914

IUPAC4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOCc3ccco3)CC2)cc1OC
InChIInChI=1S/C21H29N3O7S/c1-28-19-7-6-18(15-20(19)29-2)32(26,27)24-11-9-23(10-12-24)21(25)22-8-4-13-30-16-17-5-3-14-31-17/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,22,25)
InChIKeyYZPJVTMIOOYANX-UHFFFAOYSA-N
MW467.54 g/mol
LogP1.92
Rot. Bonds10

About 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide

4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide (PubChem CID 55793914) has the molecular formula C21H29N3O7S and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
PubChem CID55793914
Molecular FormulaC21H29N3O7S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOCc3ccco3)CC2)cc1OC
InChIInChI=1S/C21H29N3O7S/c1-28-19-7-6-18(15-20(19)29-2)32(26,27)24-11-9-23(10-12-24)21(25)22-8-4-13-30-16-17-5-3-14-31-17/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,22,25)
InChIKeyYZPJVTMIOOYANX-UHFFFAOYSA-N
XLogP1.92
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 55463061
2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55478702
N-[3-(furan-2-ylmethoxy)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55461553
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 55794043
4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793977
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
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
4-(3,4-dimethoxyphenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide
CID 46486070
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9021310

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide (CID 55793914) is 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOCc3ccco3)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The InChIKey is YZPJVTMIOOYANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O7S/c1-28-19-7-6-18(15-20(19)29-2)32(26,27)24-11-9-23(10-12-24)21(25)22-8-4-13-30-16-17-5-3-14-31-17/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,22,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55793914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).