4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C23H25N3O3S — CID 47065217

IUPAC4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(CN(C2CCc3ccccc32)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1
InChIInChI=1S/C23H25N3O3S/c1-16-7-9-17(10-8-16)14-26(21-12-11-18-5-3-4-6-20(18)21)30(28,29)19-13-22(23(24)27)25(2)15-19/h3-10,13,15,21H,11-12,14H2,1-2H3,(H2,24,27)
InChIKeyZBTVFGZKJNAIGE-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.31
Rot. Bonds6

About 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 47065217) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID47065217
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(CN(C2CCc3ccccc32)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1
InChIInChI=1S/C23H25N3O3S/c1-16-7-9-17(10-8-16)14-26(21-12-11-18-5-3-4-6-20(18)21)30(28,29)19-13-22(23(24)27)25(2)15-19/h3-10,13,15,21H,11-12,14H2,1-2H3,(H2,24,27)
InChIKeyZBTVFGZKJNAIGE-UHFFFAOYSA-N
XLogP3.31
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]sulfamoyl]pyrrole-2-carboxamide
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CID 94661473
4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 52505558
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 66216482
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
CID 60514069
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CID 87585402
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
CID 95617018
1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 126766175
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55991395
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 47065217) is 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cc1ccc(CN(C2CCc3ccccc32)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1.
What is the InChIKey of 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZBTVFGZKJNAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16-7-9-17(10-8-16)14-26(21-12-11-18-5-3-4-6-20(18)21)30(28,29)19-13-22(23(24)27)25(2)15-19/h3-10,13,15,21H,11-12,14H2,1-2H3,(H2,24,27).
What are the key properties of 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 47065217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).