N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide

C26H25N3O4S — CID 55962914

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C26H25N3O4S/c27-24(30)14-16-33-20-11-9-19(10-12-20)28-26(32)21-6-2-4-8-23(21)34-17-25(31)29-15-13-18-5-1-3-7-22(18)29/h1-12H,13-17H2,(H2,27,30)(H,28,32)
InChIKeyHFGIIPSVIZBBFO-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.87
Rot. Bonds9

About N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide (PubChem CID 55962914) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
PubChem CID55962914
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C26H25N3O4S/c27-24(30)14-16-33-20-11-9-19(10-12-20)28-26(32)21-6-2-4-8-23(21)34-17-25(31)29-15-13-18-5-1-3-7-22(18)29/h1-12H,13-17H2,(H2,27,30)(H,28,32)
InChIKeyHFGIIPSVIZBBFO-UHFFFAOYSA-N
XLogP3.87
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55969040
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 2525969
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9105631
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4794778
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
8-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22784791
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
N-(3-aminopropyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119406624

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide (CID 55962914) is N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide is NC(=O)CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is HFGIIPSVIZBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c27-24(30)14-16-33-20-11-9-19(10-12-20)28-26(32)21-6-2-4-8-23(21)34-17-25(31)29-15-13-18-5-1-3-7-22(18)29/h1-12H,13-17H2,(H2,27,30)(H,28,32).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 475.57 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 55962914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).