4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide

C22H23N3O3S — CID 6623939

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-3-24(18-10-5-4-6-11-18)22(26)21-15-19(16-23(21)2)29(27,28)25-14-13-17-9-7-8-12-20(17)25/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyCDFXEGPGPDVDMW-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.44
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide (PubChem CID 6623939) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide
PubChem CID6623939
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-3-24(18-10-5-4-6-11-18)22(26)21-15-19(16-23(21)2)29(27,28)25-14-13-17-9-7-8-12-20(17)25/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyCDFXEGPGPDVDMW-UHFFFAOYSA-N
XLogP3.44
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide (CID 6623939) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide is CCN(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C)c1ccccc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide?
The InChIKey is CDFXEGPGPDVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-24(18-10-5-4-6-11-18)22(26)21-15-19(16-23(21)2)29(27,28)25-14-13-17-9-7-8-12-20(17)25/h4-12,15-16H,3,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-ethyl-1-methyl-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 6623939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).