N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

C22H28N2O4S — CID 133230723

IUPACN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-16-7-9-17(10-8-16)14-24(29(3,26)27)15-22(25)23-21-6-4-5-18-13-19(28-2)11-12-20(18)21/h7-13,21H,4-6,14-15H2,1-3H3,(H,23,25)
InChIKeyBFSREHUZQYIIHJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.96
Rot. Bonds7

About N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 133230723) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID133230723
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-16-7-9-17(10-8-16)14-24(29(3,26)27)15-22(25)23-21-6-4-5-18-13-19(28-2)11-12-20(18)21/h7-13,21H,4-6,14-15H2,1-3H3,(H,23,25)
InChIKeyBFSREHUZQYIIHJ-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901658
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895928
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133265367
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43897273
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
4-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125063902
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 133202125

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 133230723) is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is COc1ccc2c(c1)CCCC2NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is BFSREHUZQYIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-9-17(10-8-16)14-24(29(3,26)27)15-22(25)23-21-6-4-5-18-13-19(28-2)11-12-20(18)21/h7-13,21H,4-6,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 416.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 133230723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).