methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate

C17H20N2O6S — CID 171986570

IUPACmethyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O6S/c1-23-14-8-4-12(5-9-14)16(13-6-10-15(24-2)11-7-13)18-26(21,22)19-17(20)25-3/h4-11,16,18H,1-3H3,(H,19,20)
InChIKeyYHTZVPDJBUHHSV-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.98
Rot. Bonds7

About methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate

methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate (PubChem CID 171986570) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate
PubChem CID171986570
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Namemethyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O6S/c1-23-14-8-4-12(5-9-14)16(13-6-10-15(24-2)11-7-13)18-26(21,22)19-17(20)25-3/h4-11,16,18H,1-3H3,(H,19,20)
InChIKeyYHTZVPDJBUHHSV-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
methyl 4-[(4-methoxyphenyl)-[(4-nitrophenyl)sulfonylamino]methyl]benzoate
CID 134927034
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine
CID 160668964
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate?
The IUPAC name of methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate (CID 171986570) is methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate?
The InChIKey is YHTZVPDJBUHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-23-14-8-4-12(5-9-14)16(13-6-10-15(24-2)11-7-13)18-26(21,22)19-17(20)25-3/h4-11,16,18H,1-3H3,(H,19,20).
What are the key properties of methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate?
methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate has a molecular weight of 380.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 171986570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).