2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C22H26N2O4S — CID 42941451

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(25)17-11-13-19(14-12-17)29(27,28)23(2)15-22(26)24(3)21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-14,21H,6,8,10,15H2,1-3H3
InChIKeyNGUUGNWMCRHJHK-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.05
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 42941451) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID42941451
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(25)17-11-13-19(14-12-17)29(27,28)23(2)15-22(26)24(3)21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-14,21H,6,8,10,15H2,1-3H3
InChIKeyNGUUGNWMCRHJHK-UHFFFAOYSA-N
XLogP3.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 55865233
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51936238
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 42941451) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is NGUUGNWMCRHJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16(25)17-11-13-19(14-12-17)29(27,28)23(2)15-22(26)24(3)21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-14,21H,6,8,10,15H2,1-3H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 42941451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).