N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C22H21N3O6S — CID 36671668

IUPACN-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c[nH]1)oc1ccccc12
InChIInChI=1S/C22H21N3O6S/c1-29-21-11-16-15-4-2-3-5-19(15)31-20(16)12-17(21)24-22(26)18-10-14(13-23-18)32(27,28)25-6-8-30-9-7-25/h2-5,10-13,23H,6-9H2,1H3,(H,24,26)
InChIKeyGPXPVEGIXDKVFV-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.20
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 36671668) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID36671668
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c[nH]1)oc1ccccc12
InChIInChI=1S/C22H21N3O6S/c1-29-21-11-16-15-4-2-3-5-19(15)31-20(16)12-17(21)24-22(26)18-10-14(13-23-18)32(27,28)25-6-8-30-9-7-25/h2-5,10-13,23H,6-9H2,1H3,(H,24,26)
InChIKeyGPXPVEGIXDKVFV-UHFFFAOYSA-N
XLogP3.20
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2385539
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
CID 55514549
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42068320
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 36671668) is N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is COc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c[nH]1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is GPXPVEGIXDKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-29-21-11-16-15-4-2-3-5-19(15)31-20(16)12-17(21)24-22(26)18-10-14(13-23-18)32(27,28)25-6-8-30-9-7-25/h2-5,10-13,23H,6-9H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 36671668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).