1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide

C22H27N3O5S — CID 43060412

IUPAC1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)Nc2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C22H27N3O5S/c1-15(2)24-31(28,29)20-14-16(11-12-19(20)30-3)22(27)25-13-7-10-18(25)21(26)23-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,18,24H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyYYJQTKAVBFGEFK-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.63
Rot. Bonds7

About 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide

1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 43060412) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID43060412
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)Nc2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C22H27N3O5S/c1-15(2)24-31(28,29)20-14-16(11-12-19(20)30-3)22(27)25-13-7-10-18(25)21(26)23-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,18,24H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyYYJQTKAVBFGEFK-UHFFFAOYSA-N
XLogP2.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600548
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 42924927
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 30854989

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide (CID 43060412) is 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCCC2C(=O)Nc2ccccc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is YYJQTKAVBFGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15(2)24-31(28,29)20-14-16(11-12-19(20)30-3)22(27)25-13-7-10-18(25)21(26)23-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,18,24H,7,10,13H2,1-3H3,(H,23,26).
What are the key properties of 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide?
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43060412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).