4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H27N3O4S — CID 60605986

IUPAC4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)/N=c2/ccccn2Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H27N3O4S/c1-19-8-10-20(11-9-19)18-27-14-4-3-7-24(27)26-25(29)21-12-13-22(32-2)23(17-21)33(30,31)28-15-5-6-16-28/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3/b26-24-
InChIKeyGTIFQCIDJSCYPH-LCUIJRPUSA-N
MW465.58 g/mol
LogP3.38
Rot. Bonds6

About 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 60605986) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID60605986
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)/N=c2/ccccn2Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H27N3O4S/c1-19-8-10-20(11-9-19)18-27-14-4-3-7-24(27)26-25(29)21-12-13-22(32-2)23(17-21)33(30,31)28-15-5-6-16-28/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3/b26-24-
InChIKeyGTIFQCIDJSCYPH-LCUIJRPUSA-N
XLogP3.38
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-nitrobenzamide
CID 51212999
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058760
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 46669710
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
2-(4-methylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 3291839
(3-methylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 42980000
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
2-phenylethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 17460667
N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
CID 60584634
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 60605986) is 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)/N=c2/ccccn2Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GTIFQCIDJSCYPH-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-19-8-10-20(11-9-19)18-27-14-4-3-7-24(27)26-25(29)21-12-13-22(32-2)23(17-21)33(30,31)28-15-5-6-16-28/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3/b26-24-.
What are the key properties of 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 60605986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).