1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide

C19H21N3O4S — CID 20954374

IUPAC1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(23)22-17-5-3-2-4-15(17)12-18(22)19(24)21-11-10-14-6-8-16(9-7-14)27(20,25)26/h2-9,18H,10-12H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyIRXFAQXIFBEHPP-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.97
Rot. Bonds5

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

1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20954374) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20954374
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(23)22-17-5-3-2-4-15(17)12-18(22)19(24)21-11-10-14-6-8-16(9-7-14)27(20,25)26/h2-9,18H,10-12H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyIRXFAQXIFBEHPP-UHFFFAOYSA-N
XLogP0.97
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
(2S)-N-[2-(4-tert-butylphenyl)ethyl]-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 66846126
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956706
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26015643
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide (CID 20954374) is 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is IRXFAQXIFBEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(23)22-17-5-3-2-4-15(17)12-18(22)19(24)21-11-10-14-6-8-16(9-7-14)27(20,25)26/h2-9,18H,10-12H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).