[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate

C17H19NO4S — CID 175058371

IUPAC[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate
SMILESCOc1ccc(CSc2cc(C)c(OC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-11-8-14(9-15(21-3)16(11)22-17(18)19)23-10-12-4-6-13(20-2)7-5-12/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyIJJHRFUNLHKQMB-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.76
Rot. Bonds6

About [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate

[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate (PubChem CID 175058371) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate.

Molecular Properties

Compound Name[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate
PubChem CID175058371
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate
SMILESCOc1ccc(CSc2cc(C)c(OC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-11-8-14(9-15(21-3)16(11)22-17(18)19)23-10-12-4-6-13(20-2)7-5-12/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyIJJHRFUNLHKQMB-UHFFFAOYSA-N
XLogP3.76
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
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ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate?
The IUPAC name of [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate (CID 175058371) is [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate.
What is the SMILES notation for [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate?
The canonical SMILES for [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate is COc1ccc(CSc2cc(C)c(OC(N)=O)c(OC)c2)cc1.
What is the InChIKey of [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate?
The InChIKey is IJJHRFUNLHKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11-8-14(9-15(21-3)16(11)22-17(18)19)23-10-12-4-6-13(20-2)7-5-12/h4-9H,10H2,1-3H3,(H2,18,19).
What are the key properties of [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate?
[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate has a molecular weight of 333.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate is sourced from PubChem (CID 175058371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).