N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

C21H32N4O2S — CID 18705868

IUPACN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1
InChIInChI=1S/C21H32N4O2S/c1-4-10-25(11-5-2)20-9-8-18-7-6-17(12-19(18)13-20)14-23-28(26,27)21-15-24(3)16-22-21/h6-7,12,15-16,20,23H,4-5,8-11,13-14H2,1-3H3
InChIKeyKYBHIPYCNPUCEK-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.88
Rot. Bonds9

About N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 18705868) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID18705868
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC NameN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1
InChIInChI=1S/C21H32N4O2S/c1-4-10-25(11-5-2)20-9-8-18-7-6-17(12-19(18)13-20)14-23-28(26,27)21-15-24(3)16-22-21/h6-7,12,15-16,20,23H,4-5,8-11,13-14H2,1-3H3
InChIKeyKYBHIPYCNPUCEK-UHFFFAOYSA-N
XLogP2.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 18705868) is N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is CCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1.
What is the InChIKey of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is KYBHIPYCNPUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-4-10-25(11-5-2)20-9-8-18-7-6-17(12-19(18)13-20)14-23-28(26,27)21-15-24(3)16-22-21/h6-7,12,15-16,20,23H,4-5,8-11,13-14H2,1-3H3.
What are the key properties of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 404.58 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 18705868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).