1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine

C27H32N4O3S — CID 23969025

IUPAC1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine
SMILESCc1cc(/C=N/c2ccccc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C27H32N4O3S/c1-21-18-23(20-28-24-8-4-3-5-9-24)22(2)31(21)27-19-25(10-11-26(27)29-12-6-7-13-29)35(32,33)30-14-16-34-17-15-30/h3-5,8-11,18-20H,6-7,12-17H2,1-2H3/b28-20+
InChIKeyCFKJRJDCXNGCKE-VFCFBJKWSA-N
MW492.65 g/mol
LogP4.47
Rot. Bonds6

About 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine

1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine (PubChem CID 23969025) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine
PubChem CID23969025
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine
SMILESCc1cc(/C=N/c2ccccc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C27H32N4O3S/c1-21-18-23(20-28-24-8-4-3-5-9-24)22(2)31(21)27-19-25(10-11-26(27)29-12-6-7-13-29)35(32,33)30-14-16-34-17-15-30/h3-5,8-11,18-20H,6-7,12-17H2,1-2H3/b28-20+
InChIKeyCFKJRJDCXNGCKE-VFCFBJKWSA-N
XLogP4.47
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrole-3-carbaldehyde
CID 2325893
1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-(4-methyl-3-nitrophenyl)methanimine
CID 23931862
1-[(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea
CID 167781824
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276000
2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrole-3-carbaldehyde
CID 2318101
2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-(3-ethoxypropyl)prop-2-enamide
CID 3530762
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
CID 4277694
N-[(Z)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 41081856
3-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1-methyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979839
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine?
The IUPAC name of 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine (CID 23969025) is 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine is Cc1cc(/C=N/c2ccccc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine?
The InChIKey is CFKJRJDCXNGCKE-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-21-18-23(20-28-24-8-4-3-5-9-24)22(2)31(21)27-19-25(10-11-26(27)29-12-6-7-13-29)35(32,33)30-14-16-34-17-15-30/h3-5,8-11,18-20H,6-7,12-17H2,1-2H3/b28-20+.
What are the key properties of 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine?
1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine has a molecular weight of 492.65 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-phenylmethanimine is sourced from PubChem (CID 23969025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).