1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide

C23H28ClN3O4S — CID 20956706

IUPAC1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCCc1ccc(Cl)cc1)N2C(C)=O
InChIInChI=1S/C23H28ClN3O4S/c1-4-26(5-2)32(30,31)20-10-11-21-18(14-20)15-22(27(21)16(3)28)23(29)25-13-12-17-6-8-19(24)9-7-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,29)
InChIKeyANYPFTBCMYGQAC-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.01
Rot. Bonds8

About 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide

1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20956706) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20956706
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCCc1ccc(Cl)cc1)N2C(C)=O
InChIInChI=1S/C23H28ClN3O4S/c1-4-26(5-2)32(30,31)20-10-11-21-18(14-20)15-22(27(21)16(3)28)23(29)25-13-12-17-6-8-19(24)9-7-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,29)
InChIKeyANYPFTBCMYGQAC-UHFFFAOYSA-N
XLogP3.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956720
(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 92710633
(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-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683
1-acetyl-N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956401
(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
(2S)-1-(4-tert-butylphenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 66846545
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide (CID 20956706) is 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCCc1ccc(Cl)cc1)N2C(C)=O.
What is the InChIKey of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is ANYPFTBCMYGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-4-26(5-2)32(30,31)20-10-11-21-18(14-20)15-22(27(21)16(3)28)23(29)25-13-12-17-6-8-19(24)9-7-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,29).
What are the key properties of 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 478.01 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).