N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

C22H24BrN3O4S — CID 46361217

IUPACN-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Br)c1
InChIInChI=1S/C22H24BrN3O4S/c1-14-2-6-19(18(23)12-14)25-21(27)8-10-24-31(29,30)17-5-7-20-16(13-17)9-11-26(20)22(28)15-3-4-15/h2,5-7,12-13,15,24H,3-4,8-11H2,1H3,(H,25,27)
InChIKeyXEIAAJWWTGNQTQ-UHFFFAOYSA-N
MW506.42 g/mol
LogP3.36
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 46361217) has the molecular formula C22H24BrN3O4S and a molecular weight of 506.42 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID46361217
Molecular FormulaC22H24BrN3O4S
Molecular Weight506.42 g/mol
Exact Mass505.07
IUPAC NameN-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Br)c1
InChIInChI=1S/C22H24BrN3O4S/c1-14-2-6-19(18(23)12-14)25-21(27)8-10-24-31(29,30)17-5-7-20-16(13-17)9-11-26(20)22(28)15-3-4-15/h2,5-7,12-13,15,24H,3-4,8-11H2,1H3,(H,25,27)
InChIKeyXEIAAJWWTGNQTQ-UHFFFAOYSA-N
XLogP3.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
CID 46361191
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
CID 46253964
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 50806732

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 46361217) is N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is XEIAAJWWTGNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O4S/c1-14-2-6-19(18(23)12-14)25-21(27)8-10-24-31(29,30)17-5-7-20-16(13-17)9-11-26(20)22(28)15-3-4-15/h2,5-7,12-13,15,24H,3-4,8-11H2,1H3,(H,25,27).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 506.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 46361217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).