2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide

C24H29FN2O4S — CID 125060093

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)Cc1ccccc1F
InChIInChI=1S/C24H29FN2O4S/c1-32(29,30)27(16-18-9-3-5-11-20(18)25)17-23(28)26-21-15-24(13-7-2-8-14-24)31-22-12-6-4-10-19(21)22/h3-6,9-12,21H,2,7-8,13-17H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeyMHDABBJCXAAWEU-NRFANRHFSA-N
MW460.57 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (PubChem CID 125060093) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
PubChem CID125060093
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)Cc1ccccc1F
InChIInChI=1S/C24H29FN2O4S/c1-32(29,30)27(16-18-9-3-5-11-20(18)25)17-23(28)26-21-15-24(13-7-2-8-14-24)31-22-12-6-4-10-19(21)22/h3-6,9-12,21H,2,7-8,13-17H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeyMHDABBJCXAAWEU-NRFANRHFSA-N
XLogP3.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125064612
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100603757
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133161626
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 30221696
2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119957742
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (CID 125060093) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is CS(=O)(=O)N(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The InChIKey is MHDABBJCXAAWEU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-32(29,30)27(16-18-9-3-5-11-20(18)25)17-23(28)26-21-15-24(13-7-2-8-14-24)31-22-12-6-4-10-19(21)22/h3-6,9-12,21H,2,7-8,13-17H2,1H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide has a molecular weight of 460.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is sourced from PubChem (CID 125060093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).