N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide

C19H18N4O4S — CID 113064406

IUPACN-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O4S/c1-13(24)23(16-4-2-14(12-20)3-5-16)9-8-21-28(26,27)17-6-7-18-15(10-17)11-19(25)22-18/h2-7,10,21H,8-9,11H2,1H3,(H,22,25)
InChIKeyTWHIXEUATRGVKT-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.38
Rot. Bonds6

About N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide

N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113064406) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
PubChem CID113064406
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O4S/c1-13(24)23(16-4-2-14(12-20)3-5-16)9-8-21-28(26,27)17-6-7-18-15(10-17)11-19(25)22-18/h2-7,10,21H,8-9,11H2,1H3,(H,22,25)
InChIKeyTWHIXEUATRGVKT-UHFFFAOYSA-N
XLogP1.38
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
4-(diethylamino)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9030537
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-(2-cyanophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 113001900
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-cyclopropyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 113094143
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide (CID 113064406) is N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is TWHIXEUATRGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13(24)23(16-4-2-14(12-20)3-5-16)9-8-21-28(26,27)17-6-7-18-15(10-17)11-19(25)22-18/h2-7,10,21H,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide?
N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).