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

C20H24N2O3S — CID 91832960

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCc3ccccc3C2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-7-11-19(12-8-15)22(26(2,24)25)14-20(23)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyPUSCYLRFKNYGJV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.43
Rot. Bonds5

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

2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 91832960) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID91832960
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCc3ccccc3C2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-7-11-19(12-8-15)22(26(2,24)25)14-20(23)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyPUSCYLRFKNYGJV-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 124834503
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-(4-iodo-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30230341
2-(4-methyl-N-methylsulfonylanilino)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266803
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92676137
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 91832960) is 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is Cc1ccc(N(CC(=O)NC2CCc3ccccc3C2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is PUSCYLRFKNYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-7-11-19(12-8-15)22(26(2,24)25)14-20(23)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 91832960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).