N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide

C20H22N4O3S — CID 25380755

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccccc3SCC(N)=O)ccc21
InChIInChI=1S/C20H22N4O3S/c1-13(25)24-9-8-14-10-15(6-7-17(14)24)23-20(27)11-22-16-4-2-3-5-18(16)28-12-19(21)26/h2-7,10,22H,8-9,11-12H2,1H3,(H2,21,26)(H,23,27)
InChIKeySDYLHZRPXRRDCR-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.22
Rot. Bonds7

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide (PubChem CID 25380755) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
PubChem CID25380755
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccccc3SCC(N)=O)ccc21
InChIInChI=1S/C20H22N4O3S/c1-13(25)24-9-8-14-10-15(6-7-17(14)24)23-20(27)11-22-16-4-2-3-5-18(16)28-12-19(21)26/h2-7,10,22H,8-9,11-12H2,1H3,(H2,21,26)(H,23,27)
InChIKeySDYLHZRPXRRDCR-UHFFFAOYSA-N
XLogP2.22
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460373
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide (CID 25380755) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide is CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3SCC(N)=O)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide?
The InChIKey is SDYLHZRPXRRDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13(25)24-9-8-14-10-15(6-7-17(14)24)23-20(27)11-22-16-4-2-3-5-18(16)28-12-19(21)26/h2-7,10,22H,8-9,11-12H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide is sourced from PubChem (CID 25380755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).