(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C20H25N3O6S2 — CID 55943643

IUPAC(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O6S2/c1-15-6-10-18(11-7-15)31(27,28)23-14-4-5-19(23)20(24)21-16-8-12-17(13-9-16)30(25,26)22(2)29-3/h6-13,19H,4-5,14H2,1-3H3,(H,21,24)/t19-/m0/s1
InChIKeyRYHDQTGCZUTWJW-IBGZPJMESA-N
MW467.57 g/mol
LogP1.97
Rot. Bonds7

About (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 55943643) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID55943643
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC Name(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O6S2/c1-15-6-10-18(11-7-15)31(27,28)23-14-4-5-19(23)20(24)21-16-8-12-17(13-9-16)30(25,26)22(2)29-3/h6-13,19H,4-5,14H2,1-3H3,(H,21,24)/t19-/m0/s1
InChIKeyRYHDQTGCZUTWJW-IBGZPJMESA-N
XLogP1.97
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
N-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 4534701
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25408726
1-(4-methylphenyl)sulfonyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55335881
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2S)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 37258868
(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42486342

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 55943643) is (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RYHDQTGCZUTWJW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-15-6-10-18(11-7-15)31(27,28)23-14-4-5-19(23)20(24)21-16-8-12-17(13-9-16)30(25,26)22(2)29-3/h6-13,19H,4-5,14H2,1-3H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55943643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).