N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

C24H26N2O3S — CID 167871198

IUPACN-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2Cc3ccccc3C2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-16-13-23(18(3)26(16)17(2)19-9-5-4-6-10-19)24(27)25-30(28,29)22-14-20-11-7-8-12-21(20)15-22/h4-13,17,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyGASSCVGDLBEURP-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.94
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 167871198) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID167871198
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2Cc3ccccc3C2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-16-13-23(18(3)26(16)17(2)19-9-5-4-6-10-19)24(27)25-30(28,29)22-14-20-11-7-8-12-21(20)15-22/h4-13,17,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyGASSCVGDLBEURP-UHFFFAOYSA-N
XLogP3.94
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (CID 167871198) is N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NS(=O)(=O)C2Cc3ccccc3C2)c(C)n1C(C)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is GASSCVGDLBEURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16-13-23(18(3)26(16)17(2)19-9-5-4-6-10-19)24(27)25-30(28,29)22-14-20-11-7-8-12-21(20)15-22/h4-13,17,22H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 167871198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).