2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

C20H24FN5O3S — CID 92871347

IUPAC2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H24FN5O3S/c1-4-14(2)26-19-10-9-17(11-18(19)23-24-26)30(28,29)25(3)13-20(27)22-12-15-5-7-16(21)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,22,27)/t14-/m0/s1
InChIKeyADKAPHMOJIYULH-AWEZNQCLSA-N
MW433.51 g/mol
LogP2.48
Rot. Bonds8

About 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 92871347) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID92871347
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H24FN5O3S/c1-4-14(2)26-19-10-9-17(11-18(19)23-24-26)30(28,29)25(3)13-20(27)22-12-15-5-7-16(21)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,22,27)/t14-/m0/s1
InChIKeyADKAPHMOJIYULH-AWEZNQCLSA-N
XLogP2.48
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-butylacetamide
CID 92871354
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 46330258
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330284
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330307
1-butan-2-yl-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzotriazole-5-sulfonamide
CID 46330266
N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518709
2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92871359
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 92871347) is 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ADKAPHMOJIYULH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-4-14(2)26-19-10-9-17(11-18(19)23-24-26)30(28,29)25(3)13-20(27)22-12-15-5-7-16(21)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,22,27)/t14-/m0/s1.
What are the key properties of 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 92871347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).