4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline

C20H28N2S — CID 12604899

IUPAC4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(Sc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2S/c1-5-21(6-2)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyJUUARYXORNVLIL-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.53
Rot. Bonds8

About 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline

4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline (PubChem CID 12604899) has the molecular formula C20H28N2S and a molecular weight of 328.53 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline
PubChem CID12604899
Molecular FormulaC20H28N2S
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Name4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(Sc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2S/c1-5-21(6-2)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyJUUARYXORNVLIL-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline?
The IUPAC name of 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline (CID 12604899) is 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline?
The canonical SMILES for 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline is CCN(CC)c1ccc(Sc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline?
The InChIKey is JUUARYXORNVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2S/c1-5-21(6-2)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(7-3)8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline?
4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline has a molecular weight of 328.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]sulfanyl-N,N-diethylaniline is sourced from PubChem (CID 12604899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).