N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

C23H29N3O5S — CID 55897771

IUPACN-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCOc1cccc(CC2CCCN2C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-17(27)24-19-9-11-22(12-10-19)32(29,30)25(2)16-23(28)26-13-5-7-20(26)14-18-6-4-8-21(15-18)31-3/h4,6,8-12,15,20H,5,7,13-14,16H2,1-3H3,(H,24,27)
InChIKeyAJQNTIDYKOOJIQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.51
Rot. Bonds8

About N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 55897771) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
PubChem CID55897771
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCOc1cccc(CC2CCCN2C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-17(27)24-19-9-11-22(12-10-19)32(29,30)25(2)16-23(28)26-13-5-7-20(26)14-18-6-4-8-21(15-18)31-3/h4,6,8-12,15,20H,5,7,13-14,16H2,1-3H3,(H,24,27)
InChIKeyAJQNTIDYKOOJIQ-UHFFFAOYSA-N
XLogP2.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 55898287
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55898300
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 139008637
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 97313584
N-[4-[[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55918517
4-tert-butyl-N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 55955388

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (CID 55897771) is N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is COc1cccc(CC2CCCN2C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is AJQNTIDYKOOJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17(27)24-19-9-11-22(12-10-19)32(29,30)25(2)16-23(28)26-13-5-7-20(26)14-18-6-4-8-21(15-18)31-3/h4,6,8-12,15,20H,5,7,13-14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55897771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).