benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate

C18H22N2O6S — CID 122179860

IUPACbenzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate
SMILESCOc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyDSRVEVDNVDPNPP-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.53
Rot. Bonds8

About benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate

benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate (PubChem CID 122179860) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate
PubChem CID122179860
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Namebenzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate
SMILESCOc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyDSRVEVDNVDPNPP-UHFFFAOYSA-N
XLogP2.53
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4935888
benzyl N-(methoxycarbonylamino)carbamate
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benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
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benzyl N-(4-methoxyphenyl)sulfonylcarbamate
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benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888321
benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 167857534
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
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benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
CID 69114384

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate?
The IUPAC name of benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate (CID 122179860) is benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate.
What is the SMILES notation for benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate?
The canonical SMILES for benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate is COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate?
The InChIKey is DSRVEVDNVDPNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate?
benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate has a molecular weight of 394.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 122179860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).