2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C15H20FN5O3S — CID 124754968

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1C)c1ncnn1C
InChIInChI=1S/C15H20FN5O3S/c1-4-12(15-17-9-18-21(15)3)20-14(22)8-19-25(23,24)13-6-5-11(16)7-10(13)2/h5-7,9,12,19H,4,8H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyPHVLWVIWLMVBOQ-LBPRGKRZSA-N
MW369.42 g/mol
LogP0.81
Rot. Bonds7

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 124754968) has the molecular formula C15H20FN5O3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID124754968
Molecular FormulaC15H20FN5O3S
Molecular Weight369.42 g/mol
Exact Mass369.13
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1C)c1ncnn1C
InChIInChI=1S/C15H20FN5O3S/c1-4-12(15-17-9-18-21(15)3)20-14(22)8-19-25(23,24)13-6-5-11(16)7-10(13)2/h5-7,9,12,19H,4,8H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyPHVLWVIWLMVBOQ-LBPRGKRZSA-N
XLogP0.81
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide with MolForge

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122564046
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
N-(2-ethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112998830
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 91838714
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 124754968) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1C)c1ncnn1C.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is PHVLWVIWLMVBOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN5O3S/c1-4-12(15-17-9-18-21(15)3)20-14(22)8-19-25(23,24)13-6-5-11(16)7-10(13)2/h5-7,9,12,19H,4,8H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 124754968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).