3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide

C19H23BrN2O6S — CID 37065224

IUPAC3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C19H23BrN2O6S/c1-5-8-28-18-14(20)9-12(10-17(18)27-3)19(23)21-13-6-7-16(26-2)15(11-13)22-29(4,24)25/h6-7,9-11,22H,5,8H2,1-4H3,(H,21,23)
InChIKeyZLMLXRSGPLASRZ-UHFFFAOYSA-N
MW487.37 g/mol
LogP3.88
Rot. Bonds9

About 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide

3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide (PubChem CID 37065224) has the molecular formula C19H23BrN2O6S and a molecular weight of 487.37 g/mol. Its IUPAC name is 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
PubChem CID37065224
Molecular FormulaC19H23BrN2O6S
Molecular Weight487.37 g/mol
Exact Mass486.05
IUPAC Name3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C19H23BrN2O6S/c1-5-8-28-18-14(20)9-12(10-17(18)27-3)19(23)21-13-6-7-16(26-2)15(11-13)22-29(4,24)25/h6-7,9-11,22H,5,8H2,1-4H3,(H,21,23)
InChIKeyZLMLXRSGPLASRZ-UHFFFAOYSA-N
XLogP3.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
CID 34258807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide (CID 37065224) is 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is ZLMLXRSGPLASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O6S/c1-5-8-28-18-14(20)9-12(10-17(18)27-3)19(23)21-13-6-7-16(26-2)15(11-13)22-29(4,24)25/h6-7,9-11,22H,5,8H2,1-4H3,(H,21,23).
What are the key properties of 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide?
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 487.37 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 37065224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).