(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate

C19H19Cl2NO2S — CID 141090693

IUPAC(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate
SMILESCCN(C(=O)Oc1ccc(Cl)cc1)C1CCc2cc(S)c(Cl)cc2C1
InChIInChI=1S/C19H19Cl2NO2S/c1-2-22(19(23)24-16-7-4-14(20)5-8-16)15-6-3-12-11-18(25)17(21)10-13(12)9-15/h4-5,7-8,10-11,15,25H,2-3,6,9H2,1H3
InChIKeySVJLGHKNUACHAD-UHFFFAOYSA-N
MW396.34 g/mol
LogP5.66
Rot. Bonds3

About (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate

(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate (PubChem CID 141090693) has the molecular formula C19H19Cl2NO2S and a molecular weight of 396.34 g/mol. Its IUPAC name is (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate
PubChem CID141090693
Molecular FormulaC19H19Cl2NO2S
Molecular Weight396.34 g/mol
Exact Mass395.05
IUPAC Name(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate
SMILESCCN(C(=O)Oc1ccc(Cl)cc1)C1CCc2cc(S)c(Cl)cc2C1
InChIInChI=1S/C19H19Cl2NO2S/c1-2-22(19(23)24-16-7-4-14(20)5-8-16)15-6-3-12-11-18(25)17(21)10-13(12)9-15/h4-5,7-8,10-11,15,25H,2-3,6,9H2,1H3
InChIKeySVJLGHKNUACHAD-UHFFFAOYSA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.34
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 60108102
CID 60108102
CID 59693388
CID 59693388
CID 59693394
CID 59693394
CID 68860532
CID 68860532
CID 69644954
CID 69644954
CID 89185506
CID 89185506
CID 141090710
CID 141090710

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate?
The IUPAC name of (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate (CID 141090693) is (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate.
What is the SMILES notation for (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate?
The canonical SMILES for (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate is CCN(C(=O)Oc1ccc(Cl)cc1)C1CCc2cc(S)c(Cl)cc2C1.
What is the InChIKey of (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate?
The InChIKey is SVJLGHKNUACHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2S/c1-2-22(19(23)24-16-7-4-14(20)5-8-16)15-6-3-12-11-18(25)17(21)10-13(12)9-15/h4-5,7-8,10-11,15,25H,2-3,6,9H2,1H3.
What are the key properties of (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate?
(4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate has a molecular weight of 396.34 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-(7-chloro-6-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethylcarbamate is sourced from PubChem (CID 141090693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).