N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C24H32N2O5S — CID 100770125

IUPACN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC1(CC)C[C@@H](NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c2ccccc2O1
InChIInChI=1S/C24H32N2O5S/c1-6-24(7-2)15-19(18-10-8-9-11-21(18)31-24)25-23(27)16-26(32(5,28)29)20-14-17(3)12-13-22(20)30-4/h8-14,19H,6-7,15-16H2,1-5H3,(H,25,27)/t19-/m1/s1
InChIKeyLYKGUNOVARZHIZ-LJQANCHMSA-N
MW460.60 g/mol
LogP3.97
Rot. Bonds8

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 100770125) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID100770125
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC1(CC)C[C@@H](NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c2ccccc2O1
InChIInChI=1S/C24H32N2O5S/c1-6-24(7-2)15-19(18-10-8-9-11-21(18)31-24)25-23(27)16-26(32(5,28)29)20-14-17(3)12-13-22(20)30-4/h8-14,19H,6-7,15-16H2,1-5H3,(H,25,27)/t19-/m1/s1
InChIKeyLYKGUNOVARZHIZ-LJQANCHMSA-N
XLogP3.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 100516176
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235513
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30220856
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 133161552
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243362
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895927
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895703
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43895234
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 133202258
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133164016
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 133161092
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide
CID 100759434

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 100770125) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is CCC1(CC)C[C@@H](NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LYKGUNOVARZHIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-6-24(7-2)15-19(18-10-8-9-11-21(18)31-24)25-23(27)16-26(32(5,28)29)20-14-17(3)12-13-22(20)30-4/h8-14,19H,6-7,15-16H2,1-5H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100770125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).