N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide

C19H21N3O4S — CID 113001166

IUPACN-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-11-15-5-3-4-6-18(15)22(13)19(24)12-20-27(25,26)17-9-7-16(8-10-17)21-14(2)23/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyVLEWZFQZGFSYTP-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.90
Rot. Bonds5

About N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide (PubChem CID 113001166) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
PubChem CID113001166
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-11-15-5-3-4-6-18(15)22(13)19(24)12-20-27(25,26)17-9-7-16(8-10-17)21-14(2)23/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyVLEWZFQZGFSYTP-UHFFFAOYSA-N
XLogP1.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 27520493
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954274
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 113001141
N-[4-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methylsulfamoyl]phenyl]acetamide
CID 95082961
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 110370938
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 133239338
N-[4-[(E)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 46533623
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 55523351
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 23882053

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide (CID 113001166) is N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is VLEWZFQZGFSYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-11-15-5-3-4-6-18(15)22(13)19(24)12-20-27(25,26)17-9-7-16(8-10-17)21-14(2)23/h3-10,13,20H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113001166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).