methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate

C16H18N2O6S — CID 71890321

IUPACmethyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H18N2O6S/c1-22-13-7-8-14(23-2)15(10-13)25(20,21)18-12-6-4-5-11(9-12)17-16(19)24-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyBSOYZAASOUEJCP-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.68
Rot. Bonds6

About methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate

methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate (PubChem CID 71890321) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
PubChem CID71890321
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Namemethyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H18N2O6S/c1-22-13-7-8-14(23-2)15(10-13)25(20,21)18-12-6-4-5-11(9-12)17-16(19)24-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyBSOYZAASOUEJCP-UHFFFAOYSA-N
XLogP2.68
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate (CID 71890321) is methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate is COC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate?
The InChIKey is BSOYZAASOUEJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-22-13-7-8-14(23-2)15(10-13)25(20,21)18-12-6-4-5-11(9-12)17-16(19)24-3/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate?
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate has a molecular weight of 366.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 71890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).