N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide

C22H28N4O4S — CID 53058919

IUPACN-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-3-23-22(27)26-10-9-17-15-20(7-8-21(17)26)31(28,29)25-13-11-24(12-14-25)18-5-4-6-19(16-18)30-2/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)
InChIKeyQAOBDMAFIHCOFU-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide

N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 53058919) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID53058919
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-3-23-22(27)26-10-9-17-15-20(7-8-21(17)26)31(28,29)25-13-11-24(12-14-25)18-5-4-6-19(16-18)30-2/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)
InChIKeyQAOBDMAFIHCOFU-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058977
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
ethyl 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 58078399
3-[[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]amino]benzoic acid
CID 44624667
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035
cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305140
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (CID 53058919) is N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21.
What is the InChIKey of N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QAOBDMAFIHCOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-3-23-22(27)26-10-9-17-15-20(7-8-21(17)26)31(28,29)25-13-11-24(12-14-25)18-5-4-6-19(16-18)30-2/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).