N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C21H26N2O5S2 — CID 100590709

IUPACN-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C21H26N2O5S2/c1-13(24)22-17-11-15(7-9-20(17)29-5)30(25,26)23-18-12-21(2,3)28-19-10-14(27-4)6-8-16(18)19/h6-11,18,23H,12H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyQPJQBQOONFMOQU-SFHVURJKSA-N
MW450.58 g/mol
LogP3.96
Rot. Bonds6

About N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100590709) has the molecular formula C21H26N2O5S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100590709
Molecular FormulaC21H26N2O5S2
Molecular Weight450.58 g/mol
Exact Mass450.13
IUPAC NameN-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C21H26N2O5S2/c1-13(24)22-17-11-15(7-9-20(17)29-5)30(25,26)23-18-12-21(2,3)28-19-10-14(27-4)6-8-16(18)19/h6-11,18,23H,12H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyQPJQBQOONFMOQU-SFHVURJKSA-N
XLogP3.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide with MolForge

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Related Compounds

methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
N-[5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133187537
6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
CID 133161889
3-ethyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133230821
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738359
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100724795
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 57258878
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
1-ethylsulfonyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 132663641
1-(benzenesulfonyl)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646285
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
CID 70398433
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100590709) is N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is QPJQBQOONFMOQU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O5S2/c1-13(24)22-17-11-15(7-9-20(17)29-5)30(25,26)23-18-12-21(2,3)28-19-10-14(27-4)6-8-16(18)19/h6-11,18,23H,12H2,1-5H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 450.58 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100590709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).