4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide

C18H21BrN2O6S — CID 55956522

IUPAC4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC
InChIInChI=1S/C18H21BrN2O6S/c1-5-28(23,24)21-13-7-6-12(10-14(13)25-2)20-18(22)11-8-15(26-3)17(19)16(9-11)27-4/h6-10,21H,5H2,1-4H3,(H,20,22)
InChIKeyRTUSLLYJIXOSLW-UHFFFAOYSA-N
MW473.35 g/mol
LogP3.49
Rot. Bonds8

About 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide

4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide (PubChem CID 55956522) has the molecular formula C18H21BrN2O6S and a molecular weight of 473.35 g/mol. Its IUPAC name is 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
PubChem CID55956522
Molecular FormulaC18H21BrN2O6S
Molecular Weight473.35 g/mol
Exact Mass472.03
IUPAC Name4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC
InChIInChI=1S/C18H21BrN2O6S/c1-5-28(23,24)21-13-7-6-12(10-14(13)25-2)20-18(22)11-8-15(26-3)17(19)16(9-11)27-4/h6-10,21H,5H2,1-4H3,(H,20,22)
InChIKeyRTUSLLYJIXOSLW-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

4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948591
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-nitrobenzamide
CID 155561273
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide (CID 55956522) is 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC.
What is the InChIKey of 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide?
The InChIKey is RTUSLLYJIXOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O6S/c1-5-28(23,24)21-13-7-6-12(10-14(13)25-2)20-18(22)11-8-15(26-3)17(19)16(9-11)27-4/h6-10,21H,5H2,1-4H3,(H,20,22).
What are the key properties of 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide?
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide 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 4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).