2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C22H28N2O5S — CID 43895928

IUPAC2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-15-8-11-21(29-3)20(12-15)24(30(4,26)27)14-22(25)23-19-7-5-6-16-13-17(28-2)9-10-18(16)19/h8-13,19H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyULNNJHGUDXTPEC-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43895928) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43895928
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-15-8-11-21(29-3)20(12-15)24(30(4,26)27)14-22(25)23-19-7-5-6-16-13-17(28-2)9-10-18(16)19/h8-13,19H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyULNNJHGUDXTPEC-UHFFFAOYSA-N
XLogP2.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895927
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901658
2-(2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30243488
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 133230723
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895703
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133265367
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892716
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548010
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
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 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43895928) is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc2c(c1)CCCC2NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ULNNJHGUDXTPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15-8-11-21(29-3)20(12-15)24(30(4,26)27)14-22(25)23-19-7-5-6-16-13-17(28-2)9-10-18(16)19/h8-13,19H,5-7,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 432.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43895928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).