3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C17H24N6O3S — CID 120869826

IUPAC3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H24N6O3S/c1-22-9-7-20-17(22)15-12-19-6-10-23(15)8-5-16(24)21-13-3-2-4-14(11-13)27(18,25)26/h2-4,7,9,11,15,19H,5-6,8,10,12H2,1H3,(H,21,24)(H2,18,25,26)
InChIKeyRMMRJXBYWBTCRY-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.04
Rot. Bonds6

About 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 120869826) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID120869826
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCn1ccnc1C1CNCCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H24N6O3S/c1-22-9-7-20-17(22)15-12-19-6-10-23(15)8-5-16(24)21-13-3-2-4-14(11-13)27(18,25)26/h2-4,7,9,11,15,19H,5-6,8,10,12H2,1H3,(H,21,24)(H2,18,25,26)
InChIKeyRMMRJXBYWBTCRY-UHFFFAOYSA-N
XLogP0.04
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120871378
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 120869826) is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is Cn1ccnc1C1CNCCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is RMMRJXBYWBTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-22-9-7-20-17(22)15-12-19-6-10-23(15)8-5-16(24)21-13-3-2-4-14(11-13)27(18,25)26/h2-4,7,9,11,15,19H,5-6,8,10,12H2,1H3,(H,21,24)(H2,18,25,26).
What are the key properties of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 392.49 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 120869826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).