N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide

C22H38N2O2S — CID 19823469

IUPACN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide
SMILESCCCN(CCC)C1CCc2cccc(C(C)NS(=O)(=O)C(C)CC)c2C1
InChIInChI=1S/C22H38N2O2S/c1-6-14-24(15-7-2)20-13-12-19-10-9-11-21(22(19)16-20)18(5)23-27(25,26)17(4)8-3/h9-11,17-18,20,23H,6-8,12-16H2,1-5H3
InChIKeyBKDUHCDPEGZFLO-UHFFFAOYSA-N
MW394.63 g/mol
LogP4.44
Rot. Bonds10

About N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide

N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide (PubChem CID 19823469) has the molecular formula C22H38N2O2S and a molecular weight of 394.63 g/mol. Its IUPAC name is N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide
PubChem CID19823469
Molecular FormulaC22H38N2O2S
Molecular Weight394.63 g/mol
Exact Mass394.27
IUPAC NameN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide
SMILESCCCN(CCC)C1CCc2cccc(C(C)NS(=O)(=O)C(C)CC)c2C1
InChIInChI=1S/C22H38N2O2S/c1-6-14-24(15-7-2)20-13-12-19-10-9-11-21(22(19)16-20)18(5)23-27(25,26)17(4)8-3/h9-11,17-18,20,23H,6-8,12-16H2,1-5H3
InChIKeyBKDUHCDPEGZFLO-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide?
The IUPAC name of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide (CID 19823469) is N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide.
What is the SMILES notation for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide?
The canonical SMILES for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide is CCCN(CCC)C1CCc2cccc(C(C)NS(=O)(=O)C(C)CC)c2C1.
What is the InChIKey of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide?
The InChIKey is BKDUHCDPEGZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2S/c1-6-14-24(15-7-2)20-13-12-19-10-9-11-21(22(19)16-20)18(5)23-27(25,26)17(4)8-3/h9-11,17-18,20,23H,6-8,12-16H2,1-5H3.
What are the key properties of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide?
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide has a molecular weight of 394.63 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]butane-2-sulfonamide is sourced from PubChem (CID 19823469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).