(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide

C22H36N4O4S — CID 92710633

IUPAC(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O
InChIInChI=1S/C22H36N4O4S/c1-6-24(7-2)14-10-13-23-22(28)21-16-18-15-19(31(29,30)25(8-3)9-4)11-12-20(18)26(21)17(5)27/h11-12,15,21H,6-10,13-14,16H2,1-5H3,(H,23,28)/t21-/m1/s1
InChIKeyPVSFVZWZUJJRSL-OAQYLSRUSA-N
MW452.62 g/mol
LogP1.84
Rot. Bonds11

About (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide

(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 92710633) has the molecular formula C22H36N4O4S and a molecular weight of 452.62 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID92710633
Molecular FormulaC22H36N4O4S
Molecular Weight452.62 g/mol
Exact Mass452.25
IUPAC Name(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O
InChIInChI=1S/C22H36N4O4S/c1-6-24(7-2)14-10-13-23-22(28)21-16-18-15-19(31(29,30)25(8-3)9-4)11-12-20(18)26(21)17(5)27/h11-12,15,21H,6-10,13-14,16H2,1-5H3,(H,23,28)/t21-/m1/s1
InChIKeyPVSFVZWZUJJRSL-OAQYLSRUSA-N
XLogP1.84
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956720
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956706
(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710645
1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20956713
1-acetyl-N-(3-propan-2-yloxypropyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956463
(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710579
(2S)-1-acetyl-N-[2-[benzyl(methyl)amino]ethyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710486
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-acetyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956465
N-butyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 46344563
1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956667
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (CID 92710633) is (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is CCN(CC)CCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is PVSFVZWZUJJRSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H36N4O4S/c1-6-24(7-2)14-10-13-23-22(28)21-16-18-15-19(31(29,30)25(8-3)9-4)11-12-20(18)26(21)17(5)27/h11-12,15,21H,6-10,13-14,16H2,1-5H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 1.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).