4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

C22H28N2O3S — CID 46420133

IUPAC4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-16(2)24-28(26,27)20-13-11-18(12-14-20)22(25)23-15-19-9-6-8-17-7-4-5-10-21(17)19/h4-5,7,10-14,16,19,24H,3,6,8-9,15H2,1-2H3,(H,23,25)
InChIKeyLMSXXZULDMIJRI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.61
Rot. Bonds7

About 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (PubChem CID 46420133) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
PubChem CID46420133
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-16(2)24-28(26,27)20-13-11-18(12-14-20)22(25)23-15-19-9-6-8-17-7-4-5-10-21(17)19/h4-5,7,10-14,16,19,24H,3,6,8-9,15H2,1-2H3,(H,23,25)
InChIKeyLMSXXZULDMIJRI-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870530
5-(diethylsulfamoyl)-2-methyl-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870529
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
CID 46578833
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide (CID 46420133) is 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
The InChIKey is LMSXXZULDMIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-16(2)24-28(26,27)20-13-11-18(12-14-20)22(25)23-15-19-9-6-8-17-7-4-5-10-21(17)19/h4-5,7,10-14,16,19,24H,3,6,8-9,15H2,1-2H3,(H,23,25).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 46420133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).