benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate

C17H20N2O6S — CID 131862352

IUPACbenzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
SMILESCOc1cc(NS(C)(=O)=O)cc(OC)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O6S/c1-23-14-9-13(19-26(3,21)22)10-15(24-2)16(14)18-17(20)25-11-12-7-5-4-6-8-12/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyLNSJWSWLKOWZGL-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.82
Rot. Bonds7

About benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate

benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate (PubChem CID 131862352) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
PubChem CID131862352
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Namebenzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
SMILESCOc1cc(NS(C)(=O)=O)cc(OC)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O6S/c1-23-14-9-13(19-26(3,21)22)10-15(24-2)16(14)18-17(20)25-11-12-7-5-4-6-8-12/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyLNSJWSWLKOWZGL-UHFFFAOYSA-N
XLogP2.82
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate?
The IUPAC name of benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate (CID 131862352) is benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate?
The canonical SMILES for benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate is COc1cc(NS(C)(=O)=O)cc(OC)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate?
The InChIKey is LNSJWSWLKOWZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-23-14-9-13(19-26(3,21)22)10-15(24-2)16(14)18-17(20)25-11-12-7-5-4-6-8-12/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate?
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate has a molecular weight of 380.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate is sourced from PubChem (CID 131862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).