4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C24H27N3O5S — CID 55694656

IUPAC4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C24H27N3O5S/c28-24(23-14-22(16-25-23)33(29,30)27-10-12-31-13-11-27)26-15-20-8-4-5-9-21(20)18-32-17-19-6-2-1-3-7-19/h1-9,14,16,25H,10-13,15,17-18H2,(H,26,28)
InChIKeyZSGOTULJPTWJSQ-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.68
Rot. Bonds9

About 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 55694656) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID55694656
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C24H27N3O5S/c28-24(23-14-22(16-25-23)33(29,30)27-10-12-31-13-11-27)26-15-20-8-4-5-9-21(20)18-32-17-19-6-2-1-3-7-19/h1-9,14,16,25H,10-13,15,17-18H2,(H,26,28)
InChIKeyZSGOTULJPTWJSQ-UHFFFAOYSA-N
XLogP2.68
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668
N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
[2-(trifluoromethyl)phenyl]methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 46535434
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
CID 55514549
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 55694656) is 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1COCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZSGOTULJPTWJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c28-24(23-14-22(16-25-23)33(29,30)27-10-12-31-13-11-27)26-15-20-8-4-5-9-21(20)18-32-17-19-6-2-1-3-7-19/h1-9,14,16,25H,10-13,15,17-18H2,(H,26,28).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55694656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).