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

C25H32N2O4S — CID 125064612

IUPAC2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESCc1ccc(CN(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C25H32N2O4S/c1-19-10-12-20(13-11-19)17-27(32(2,29)30)18-24(28)26-22-16-25(14-6-3-7-15-25)31-23-9-5-4-8-21(22)23/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyPCEWZBOOODHYBA-QFIPXVFZSA-N
MW456.61 g/mol
LogP4.10
Rot. Bonds6

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

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (PubChem CID 125064612) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
PubChem CID125064612
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESCc1ccc(CN(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C25H32N2O4S/c1-19-10-12-20(13-11-19)17-27(32(2,29)30)18-24(28)26-22-16-25(14-6-3-7-15-25)31-23-9-5-4-8-21(22)23/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyPCEWZBOOODHYBA-QFIPXVFZSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125060093
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]benzamide
CID 125057985
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133161626
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119957742

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (CID 125064612) is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is Cc1ccc(CN(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The InChIKey is PCEWZBOOODHYBA-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-19-10-12-20(13-11-19)17-27(32(2,29)30)18-24(28)26-22-16-25(14-6-3-7-15-25)31-23-9-5-4-8-21(22)23/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide has a molecular weight of 456.61 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is sourced from PubChem (CID 125064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).