3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

C21H27BrN2O4S — CID 112764541

IUPAC3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccc(Br)c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C21H27BrN2O4S/c1-4-24(5-2)29(26,27)20-15-18(11-12-19(20)28-6-3)23-21(25)13-10-16-8-7-9-17(22)14-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,23,25)
InChIKeyOODGXASGKRQOKO-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.45
Rot. Bonds10

About 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 112764541) has the molecular formula C21H27BrN2O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID112764541
Molecular FormulaC21H27BrN2O4S
Molecular Weight483.43 g/mol
Exact Mass482.09
IUPAC Name3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccc(Br)c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C21H27BrN2O4S/c1-4-24(5-2)29(26,27)20-15-18(11-12-19(20)28-6-3)23-21(25)13-10-16-8-7-9-17(22)14-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,23,25)
InChIKeyOODGXASGKRQOKO-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
3-(3-bromophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 43011117
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 112764541) is 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)CCc2cccc(Br)c2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is OODGXASGKRQOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4S/c1-4-24(5-2)29(26,27)20-15-18(11-12-19(20)28-6-3)23-21(25)13-10-16-8-7-9-17(22)14-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,23,25).
What are the key properties of 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 483.43 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 112764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).