1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide

C17H22N4O3S — CID 91768534

IUPAC1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)NCCCn3ccnn3)CCC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)15-6-4-14(5-7-15)17(8-2-9-17)16(22)18-10-3-12-21-13-11-19-20-21/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,18,22)
InChIKeyHJQUIGAQTGIYRB-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.31
Rot. Bonds7

About 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide

1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide (PubChem CID 91768534) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
PubChem CID91768534
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)NCCCn3ccnn3)CCC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)15-6-4-14(5-7-15)17(8-2-9-17)16(22)18-10-3-12-21-13-11-19-20-21/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,18,22)
InChIKeyHJQUIGAQTGIYRB-UHFFFAOYSA-N
XLogP1.31
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-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

1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 118769650
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 134695580
1-(4-chlorophenyl)-N-[3-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]propyl]cyclobutane-1-carboxamide
CID 26316540
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide (CID 91768534) is 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide is CS(=O)(=O)c1ccc(C2(C(=O)NCCCn3ccnn3)CCC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide?
The InChIKey is HJQUIGAQTGIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)15-6-4-14(5-7-15)17(8-2-9-17)16(22)18-10-3-12-21-13-11-19-20-21/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,18,22).
What are the key properties of 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide?
1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 91768534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).