N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide

C16H17BrN2O4S — CID 17491857

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-11-3-6-14(18-16(20)10-23-2)9-15(11)24(21,22)19-13-7-4-12(17)5-8-13/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyFRGHVXRPCZGPHS-UHFFFAOYSA-N
MW413.29 g/mol
LogP3.14
Rot. Bonds6

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide (PubChem CID 17491857) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
PubChem CID17491857
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-11-3-6-14(18-16(20)10-23-2)9-15(11)24(21,22)19-13-7-4-12(17)5-8-13/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyFRGHVXRPCZGPHS-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 26850175
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
CID 35541901
N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 35542103
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide (CID 17491857) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide?
The InChIKey is FRGHVXRPCZGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-11-3-6-14(18-16(20)10-23-2)9-15(11)24(21,22)19-13-7-4-12(17)5-8-13/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide has a molecular weight of 413.29 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 17491857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).