3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide

C19H23BrN2O3S — CID 43011117

IUPAC3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-14(2)22(3)26(24,25)18-10-8-17(9-11-18)21-19(23)12-7-15-5-4-6-16(20)13-15/h4-6,8-11,13-14H,7,12H2,1-3H3,(H,21,23)
InChIKeyAUBRIOOOGSBCMZ-UHFFFAOYSA-N
MW439.38 g/mol
LogP4.05
Rot. Bonds7

About 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide

3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 43011117) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID43011117
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-14(2)22(3)26(24,25)18-10-8-17(9-11-18)21-19(23)12-7-15-5-4-6-16(20)13-15/h4-6,8-11,13-14H,7,12H2,1-3H3,(H,21,23)
InChIKeyAUBRIOOOGSBCMZ-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8759670
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 43011243
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33182512
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
methyl 3-[[4-[3-(3-bromophenyl)propanoylamino]benzoyl]amino]propanoate
CID 78839781

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide (CID 43011117) is 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCc2cccc(Br)c2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is AUBRIOOOGSBCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-14(2)22(3)26(24,25)18-10-8-17(9-11-18)21-19(23)12-7-15-5-4-6-16(20)13-15/h4-6,8-11,13-14H,7,12H2,1-3H3,(H,21,23).
What are the key properties of 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 439.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 43011117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).