2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

C20H24N2O4S — CID 124569374

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-17(16-11-7-8-12-18(16)26-20)21-19(23)14-22(3)27(24,25)15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyHYSJCGSIQASNLW-KRWDZBQOSA-N
MW388.49 g/mol
LogP2.73
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 124569374) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID124569374
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-17(16-11-7-8-12-18(16)26-20)21-19(23)14-22(3)27(24,25)15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyHYSJCGSIQASNLW-KRWDZBQOSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132665004
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892737
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893418
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892499
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892687
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971
4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132668969
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133161626
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893109
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100759651
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133184569
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 30221696

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 124569374) is 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is HYSJCGSIQASNLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2)13-17(16-11-7-8-12-18(16)26-20)21-19(23)14-22(3)27(24,25)15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 124569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).