N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

C19H20N4O6S — CID 55941475

IUPACN-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C19H20N4O6S/c1-12(21-30(28,29)17-7-4-15(5-8-17)20-13(2)24)19(25)22-10-9-14-3-6-16(23(26)27)11-18(14)22/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyCBUJJFIHDLIEDL-LBPRGKRZSA-N
MW432.46 g/mol
LogP1.81
Rot. Bonds6

About N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 55941475) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID55941475
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC NameN-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C19H20N4O6S/c1-12(21-30(28,29)17-7-4-15(5-8-17)20-13(2)24)19(25)22-10-9-14-3-6-16(23(26)27)11-18(14)22/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyCBUJJFIHDLIEDL-LBPRGKRZSA-N
XLogP1.81
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
ethyl 2-methyl-3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 11011775
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354774
N-[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 27355024
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
1-[4-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 55483657
2-[4-[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55936116
2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 38562265
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161902
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 37163279

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (CID 55941475) is N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is CBUJJFIHDLIEDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N4O6S/c1-12(21-30(28,29)17-7-4-15(5-8-17)20-13(2)24)19(25)22-10-9-14-3-6-16(23(26)27)11-18(14)22/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 432.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-(6-nitro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).