3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide

C18H25BrN2O4S — CID 46506133

IUPAC3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)CC)cc21
InChIInChI=1S/C18H25BrN2O4S/c1-4-17(22)21-9-7-13-11-14(19)16(12-15(13)21)26(24,25)10-8-18(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyUJMRYGKEABXLFZ-UHFFFAOYSA-N
MW445.38 g/mol
LogP2.78
Rot. Bonds7

About 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide (PubChem CID 46506133) has the molecular formula C18H25BrN2O4S and a molecular weight of 445.38 g/mol. Its IUPAC name is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
PubChem CID46506133
Molecular FormulaC18H25BrN2O4S
Molecular Weight445.38 g/mol
Exact Mass444.07
IUPAC Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)CC)cc21
InChIInChI=1S/C18H25BrN2O4S/c1-4-17(22)21-9-7-13-11-14(19)16(12-15(13)21)26(24,25)10-8-18(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyUJMRYGKEABXLFZ-UHFFFAOYSA-N
XLogP2.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504823
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(N-ethylanilino)ethyl]propanamide
CID 46374671
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 46506114
N-butyl-N-ethyl-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853429
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46506066
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
CID 20853417
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 46506061
N-benzyl-5-bromo-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504855
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-butan-2-ylpropanamide
CID 46248511
N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504909
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-cycloheptylpropanamide
CID 46248517

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide (CID 46506133) is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)CC)cc21.
What is the InChIKey of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide?
The InChIKey is UJMRYGKEABXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O4S/c1-4-17(22)21-9-7-13-11-14(19)16(12-15(13)21)26(24,25)10-8-18(23)20(5-2)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide?
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide has a molecular weight of 445.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide is sourced from PubChem (CID 46506133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).