3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C20H24N2O4S — CID 100626716

IUPAC3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O4S/c1-22(2)27(24,25)17-8-4-7-15(13-17)20(23)21-19-9-5-6-14-12-16(26-3)10-11-18(14)19/h4,7-8,10-13,19H,5-6,9H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKTVGLWBGOFPDBQ-IBGZPJMESA-N
MW388.49 g/mol
LogP2.75
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 100626716) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID100626716
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O4S/c1-22(2)27(24,25)17-8-4-7-15(13-17)20(23)21-19-9-5-6-14-12-16(26-3)10-11-18(14)19/h4,7-8,10-13,19H,5-6,9H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKTVGLWBGOFPDBQ-IBGZPJMESA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100749910
4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
CID 133202152
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72843548
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47032068
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 100626716) is 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is KTVGLWBGOFPDBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-22(2)27(24,25)17-8-4-7-15(13-17)20(23)21-19-9-5-6-14-12-16(26-3)10-11-18(14)19/h4,7-8,10-13,19H,5-6,9H2,1-3H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 100626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).