N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C22H25BrN2O4S — CID 15990729

IUPACN-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Br)c(C)c3)cc2CC1C
InChIInChI=1S/C22H25BrN2O4S/c1-4-22(27)25-15(3)12-16-13-18(6-8-20(16)25)30(28,29)10-9-21(26)24-17-5-7-19(23)14(2)11-17/h5-8,11,13,15H,4,9-10,12H2,1-3H3,(H,24,26)
InChIKeyUKEJDCLUYWYEBI-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.25
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 15990729) has the molecular formula C22H25BrN2O4S and a molecular weight of 493.42 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID15990729
Molecular FormulaC22H25BrN2O4S
Molecular Weight493.42 g/mol
Exact Mass492.07
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Br)c(C)c3)cc2CC1C
InChIInChI=1S/C22H25BrN2O4S/c1-4-22(27)25-15(3)12-16-13-18(6-8-20(16)25)30(28,29)10-9-21(26)24-17-5-7-19(23)14(2)11-17/h5-8,11,13,15H,4,9-10,12H2,1-3H3,(H,24,26)
InChIKeyUKEJDCLUYWYEBI-UHFFFAOYSA-N
XLogP4.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 15990729) is N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Br)c(C)c3)cc2CC1C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is UKEJDCLUYWYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4S/c1-4-22(27)25-15(3)12-16-13-18(6-8-20(16)25)30(28,29)10-9-21(26)24-17-5-7-19(23)14(2)11-17/h5-8,11,13,15H,4,9-10,12H2,1-3H3,(H,24,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 493.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 15990729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).