3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide

C16H20N4O3S — CID 164925425

IUPAC3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCC2CCC2)ccc1S(=O)(=O)n1cncn1
InChIInChI=1S/C16H20N4O3S/c1-12-9-14(19-16(21)8-5-13-3-2-4-13)6-7-15(12)24(22,23)20-11-17-10-18-20/h6-7,9-11,13H,2-5,8H2,1H3,(H,19,21)
InChIKeyMFLNISIBRPYECQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.34
Rot. Bonds6

About 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide

3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide (PubChem CID 164925425) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide
PubChem CID164925425
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCC2CCC2)ccc1S(=O)(=O)n1cncn1
InChIInChI=1S/C16H20N4O3S/c1-12-9-14(19-16(21)8-5-13-3-2-4-13)6-7-15(12)24(22,23)20-11-17-10-18-20/h6-7,9-11,13H,2-5,8H2,1H3,(H,19,21)
InChIKeyMFLNISIBRPYECQ-UHFFFAOYSA-N
XLogP2.34
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide
CID 164925577
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CID 35291168
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
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N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122296736
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide?
The IUPAC name of 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide (CID 164925425) is 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide is Cc1cc(NC(=O)CCC2CCC2)ccc1S(=O)(=O)n1cncn1.
What is the InChIKey of 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide?
The InChIKey is MFLNISIBRPYECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-9-14(19-16(21)8-5-13-3-2-4-13)6-7-15(12)24(22,23)20-11-17-10-18-20/h6-7,9-11,13H,2-5,8H2,1H3,(H,19,21).
What are the key properties of 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide?
3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 164925425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).