5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide

C23H30N2O3S — CID 51870530

IUPAC5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C23H30N2O3S/c1-4-25(5-2)29(27,28)20-14-13-17(3)22(15-20)23(26)24-16-19-11-8-10-18-9-6-7-12-21(18)19/h6-7,9,12-15,19H,4-5,8,10-11,16H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyLREUADVDBLNUQB-LJQANCHMSA-N
MW414.57 g/mol
LogP3.88
Rot. Bonds7

About 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide (PubChem CID 51870530) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
PubChem CID51870530
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C23H30N2O3S/c1-4-25(5-2)29(27,28)20-14-13-17(3)22(15-20)23(26)24-16-19-11-8-10-18-9-6-7-12-21(18)19/h6-7,9,12-15,19H,4-5,8,10-11,16H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyLREUADVDBLNUQB-LJQANCHMSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide with MolForge

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870529
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide (CID 51870530) is 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide?
The InChIKey is LREUADVDBLNUQB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-25(5-2)29(27,28)20-14-13-17(3)22(15-20)23(26)24-16-19-11-8-10-18-9-6-7-12-21(18)19/h6-7,9,12-15,19H,4-5,8,10-11,16H2,1-3H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide?
5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide is sourced from PubChem (CID 51870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).