N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide

C19H21N3O4S — CID 110417621

IUPACN-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21N3O4S/c1-14(23)20-16-6-4-7-17(13-16)21-27(25,26)12-10-19(24)22-11-9-15-5-2-3-8-18(15)22/h2-8,13,21H,9-12H2,1H3,(H,20,23)
InChIKeyBWMIILDUAGVNTE-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.37
Rot. Bonds6

About N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide

N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (PubChem CID 110417621) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
PubChem CID110417621
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21N3O4S/c1-14(23)20-16-6-4-7-17(13-16)21-27(25,26)12-10-19(24)22-11-9-15-5-2-3-8-18(15)22/h2-8,13,21H,9-12H2,1H3,(H,20,23)
InChIKeyBWMIILDUAGVNTE-UHFFFAOYSA-N
XLogP2.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4087818
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (CID 110417621) is N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The InChIKey is BWMIILDUAGVNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14(23)20-16-6-4-7-17(13-16)21-27(25,26)12-10-19(24)22-11-9-15-5-2-3-8-18(15)22/h2-8,13,21H,9-12H2,1H3,(H,20,23).
What are the key properties of N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110417621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).