N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H27N3O5S — CID 92682610

IUPACN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-21-11-10-19(32(29,30)26-13-2-3-14-26)15-20(21)24-23(28)18-8-6-17(7-9-18)16-25-12-4-5-22(25)27/h6-11,15H,2-5,12-14,16H2,1H3,(H,24,28)
InChIKeyRXFAYKSSXRQZOP-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.85
Rot. Bonds7

About N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 92682610) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID92682610
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-21-11-10-19(32(29,30)26-13-2-3-14-26)15-20(21)24-23(28)18-8-6-17(7-9-18)16-25-12-4-5-22(25)27/h6-11,15H,2-5,12-14,16H2,1H3,(H,24,28)
InChIKeyRXFAYKSSXRQZOP-UHFFFAOYSA-N
XLogP2.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28631793
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CID 100585854
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4541428
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55379495
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 92682610) is N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RXFAYKSSXRQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-21-11-10-19(32(29,30)26-13-2-3-14-26)15-20(21)24-23(28)18-8-6-17(7-9-18)16-25-12-4-5-22(25)27/h6-11,15H,2-5,12-14,16H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 92682610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).