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

C21H34N4O4S — CID 20956720

IUPAC1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O
InChIInChI=1S/C21H34N4O4S/c1-6-23(7-2)13-12-22-21(27)20-15-17-14-18(30(28,29)24(8-3)9-4)10-11-19(17)25(20)16(5)26/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,22,27)
InChIKeyBUQWVXWJNNVKSR-UHFFFAOYSA-N
MW438.59 g/mol
LogP1.45
Rot. Bonds10

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

1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20956720) has the molecular formula C21H34N4O4S and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20956720
Molecular FormulaC21H34N4O4S
Molecular Weight438.59 g/mol
Exact Mass438.23
IUPAC Name1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O
InChIInChI=1S/C21H34N4O4S/c1-6-23(7-2)13-12-22-21(27)20-15-17-14-18(30(28,29)24(8-3)9-4)10-11-19(17)25(20)16(5)26/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,22,27)
InChIKeyBUQWVXWJNNVKSR-UHFFFAOYSA-N
XLogP1.45
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 92710633
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
(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
1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956667
1-acetyl-N-(3-propan-2-yloxypropyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956463
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (CID 20956720) is 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is CCN(CC)CCNC(=O)C1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O.
What is the InChIKey of 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BUQWVXWJNNVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S/c1-6-23(7-2)13-12-22-21(27)20-15-17-14-18(30(28,29)24(8-3)9-4)10-11-19(17)25(20)16(5)26/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,22,27).
What are the key properties of 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).