4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C17H25N3O5S — CID 32504642

IUPAC4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESC=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C17H25N3O5S/c1-5-12-25-15-7-6-14(13-16(15)24-4)17(21)19-8-10-20(11-9-19)26(22,23)18(2)3/h5-7,13H,1,8-12H2,2-4H3
InChIKeyLOMUQRYIXLFBPL-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.82
Rot. Bonds7

About 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 32504642) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID32504642
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESC=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C17H25N3O5S/c1-5-12-25-15-7-6-14(13-16(15)24-4)17(21)19-8-10-20(11-9-19)26(22,23)18(2)3/h5-7,13H,1,8-12H2,2-4H3
InChIKeyLOMUQRYIXLFBPL-UHFFFAOYSA-N
XLogP0.82
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27510394
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 32741288
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55445592
4-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810353
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27259483
[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950584
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
4-(3-bromo-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32500986
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
(3-methoxy-4-prop-2-enoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51278593
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]ethanone
CID 52686521
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 32504642) is 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1OC.
What is the InChIKey of 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is LOMUQRYIXLFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-5-12-25-15-7-6-14(13-16(15)24-4)17(21)19-8-10-20(11-9-19)26(22,23)18(2)3/h5-7,13H,1,8-12H2,2-4H3.
What are the key properties of 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 32504642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).