N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C22H29NO4S — CID 100770415

IUPACN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2ccccc2O1
InChIInChI=1S/C22H29NO4S/c1-6-22(7-2)14-19(18-10-8-9-11-20(18)27-22)23-28(24,25)21-15(3)12-17(26-5)13-16(21)4/h8-13,19,23H,6-7,14H2,1-5H3/t19-/m1/s1
InChIKeyKYJOAMDILVJJME-LJQANCHMSA-N
MW403.54 g/mol
LogP4.67
Rot. Bonds6

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 100770415) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID100770415
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2ccccc2O1
InChIInChI=1S/C22H29NO4S/c1-6-22(7-2)14-19(18-10-8-9-11-20(18)27-22)23-28(24,25)21-15(3)12-17(26-5)13-16(21)4/h8-13,19,23H,6-7,14H2,1-5H3/t19-/m1/s1
InChIKeyKYJOAMDILVJJME-LJQANCHMSA-N
XLogP4.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 133189812
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 133189767
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 133224858
5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 133166349
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 133161552
1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
CID 100511167
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
N-[5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133187537
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 100770125
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 100568703
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 133160411

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 100770415) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide is CCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is KYJOAMDILVJJME-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29NO4S/c1-6-22(7-2)14-19(18-10-8-9-11-20(18)27-22)23-28(24,25)21-15(3)12-17(26-5)13-16(21)4/h8-13,19,23H,6-7,14H2,1-5H3/t19-/m1/s1.
What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 403.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 100770415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).