2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

C23H27ClN2O4S — CID 133161626

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESCN(CC(=O)NC1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O4S/c1-26(31(28,29)18-11-9-17(24)10-12-18)16-22(27)25-20-15-23(13-5-2-6-14-23)30-21-8-4-3-7-19(20)21/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,25,27)
InChIKeyBGQSVLDEEGPAQM-UHFFFAOYSA-N
MW463.00 g/mol
LogP4.30
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (PubChem CID 133161626) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
PubChem CID133161626
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESCN(CC(=O)NC1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O4S/c1-26(31(28,29)18-11-9-17(24)10-12-18)16-22(27)25-20-15-23(13-5-2-6-14-23)30-21-8-4-3-7-19(20)21/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,25,27)
InChIKeyBGQSVLDEEGPAQM-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
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-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125060093
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
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125064612
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235503

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (CID 133161626) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is CN(CC(=O)NC1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The InChIKey is BGQSVLDEEGPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-26(31(28,29)18-11-9-17(24)10-12-18)16-22(27)25-20-15-23(13-5-2-6-14-23)30-21-8-4-3-7-19(20)21/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,25,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide has a molecular weight of 463.00 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is sourced from PubChem (CID 133161626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).