3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide

C18H21BrN2O6S — CID 24673293

IUPAC3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc(Br)c1OC
InChIInChI=1S/C18H21BrN2O6S/c1-5-27-16-9-11(8-13(19)17(16)26-3)18(22)20-12-6-7-15(25-2)14(10-12)21-28(4,23)24/h6-10,21H,5H2,1-4H3,(H,20,22)
InChIKeyRROWENOJNGUWER-UHFFFAOYSA-N
MW473.35 g/mol
LogP3.49
Rot. Bonds8

About 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide

3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide (PubChem CID 24673293) has the molecular formula C18H21BrN2O6S and a molecular weight of 473.35 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
PubChem CID24673293
Molecular FormulaC18H21BrN2O6S
Molecular Weight473.35 g/mol
Exact Mass472.03
IUPAC Name3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc(Br)c1OC
InChIInChI=1S/C18H21BrN2O6S/c1-5-27-16-9-11(8-13(19)17(16)26-3)18(22)20-12-6-7-15(25-2)14(10-12)21-28(4,23)24/h6-10,21H,5H2,1-4H3,(H,20,22)
InChIKeyRROWENOJNGUWER-UHFFFAOYSA-N
XLogP3.49
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2576501
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide (CID 24673293) is 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide?
The InChIKey is RROWENOJNGUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O6S/c1-5-27-16-9-11(8-13(19)17(16)26-3)18(22)20-12-6-7-15(25-2)14(10-12)21-28(4,23)24/h6-10,21H,5H2,1-4H3,(H,20,22).
What are the key properties of 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide?
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide has a molecular weight of 473.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide is sourced from PubChem (CID 24673293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).