2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate

C19H22ClNO2S — CID 73350398

IUPAC2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUNOFGQWDNLJPIO-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.99
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate

2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate (PubChem CID 73350398) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate
PubChem CID73350398
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyUNOFGQWDNLJPIO-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate?
The IUPAC name of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate (CID 73350398) is 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate is CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate?
The InChIKey is UNOFGQWDNLJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-3-21(4-2)13-14-23-19(22)17-7-5-6-8-18(17)24-16-11-9-15(20)10-12-16/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate?
2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate has a molecular weight of 363.91 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylbenzoate is sourced from PubChem (CID 73350398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).