3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C22H27N3O5S — CID 55364363

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCCC2)ccc1C
InChIInChI=1S/C22H27N3O5S/c1-16-9-10-17(22(27)23-12-11-21(26)25-13-5-6-14-25)15-20(16)31(28,29)24-18-7-3-4-8-19(18)30-2/h3-4,7-10,15,24H,5-6,11-14H2,1-2H3,(H,23,27)
InChIKeyWRLVCONAHKREHX-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.55
Rot. Bonds8

About 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 55364363) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID55364363
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCCC2)ccc1C
InChIInChI=1S/C22H27N3O5S/c1-16-9-10-17(22(27)23-12-11-21(26)25-13-5-6-14-25)15-20(16)31(28,29)24-18-7-3-4-8-19(18)30-2/h3-4,7-10,15,24H,5-6,11-14H2,1-2H3,(H,23,27)
InChIKeyWRLVCONAHKREHX-UHFFFAOYSA-N
XLogP2.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 96517593
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544240
N-(2-methoxyphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205053

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 55364363) is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCCC2)ccc1C.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is WRLVCONAHKREHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-9-10-17(22(27)23-12-11-21(26)25-13-5-6-14-25)15-20(16)31(28,29)24-18-7-3-4-8-19(18)30-2/h3-4,7-10,15,24H,5-6,11-14H2,1-2H3,(H,23,27).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55364363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).