2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C21H28N4O4S2 — CID 38268580

IUPAC2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H28N4O4S2/c1-3-25(4-2)31(28,29)18-7-8-19-16(14-18)10-12-24(19)15-20(26)23-21(27)22-11-9-17-6-5-13-30-17/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,22,23,26,27)
InChIKeyLPPJNMPLGJPARF-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.21
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 38268580) has the molecular formula C21H28N4O4S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID38268580
Molecular FormulaC21H28N4O4S2
Molecular Weight464.61 g/mol
Exact Mass464.16
IUPAC Name2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H28N4O4S2/c1-3-25(4-2)31(28,29)18-7-8-19-16(14-18)10-12-24(19)15-20(26)23-21(27)22-11-9-17-6-5-13-30-17/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,22,23,26,27)
InChIKeyLPPJNMPLGJPARF-UHFFFAOYSA-N
XLogP2.21
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 46821848
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 38268624
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 55436740
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 38268580) is 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is LPPJNMPLGJPARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S2/c1-3-25(4-2)31(28,29)18-7-8-19-16(14-18)10-12-24(19)15-20(26)23-21(27)22-11-9-17-6-5-13-30-17/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,22,23,26,27).
What are the key properties of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 464.61 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 38268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).