phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate

C17H18N2O5S — CID 7627629

IUPACphenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C17H18N2O5S/c1-23-16-12-13(19-10-5-11-25(19,21)22)8-9-15(16)18-17(20)24-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,20)
InChIKeyKKTMAOKJALDEEN-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.85
Rot. Bonds4

About phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate

phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate (PubChem CID 7627629) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
PubChem CID7627629
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namephenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C17H18N2O5S/c1-23-16-12-13(19-10-5-11-25(19,21)22)8-9-15(16)18-17(20)24-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,20)
InChIKeyKKTMAOKJALDEEN-UHFFFAOYSA-N
XLogP2.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 43955579
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 7482949
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 7482945
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 43955577
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate?
The IUPAC name of phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate (CID 7627629) is phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate?
The canonical SMILES for phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate is COc1cc(N2CCCS2(=O)=O)ccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate?
The InChIKey is KKTMAOKJALDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-16-12-13(19-10-5-11-25(19,21)22)8-9-15(16)18-17(20)24-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,20).
What are the key properties of phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate?
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate has a molecular weight of 362.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 7627629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).