3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide

C18H26FN3O4S — CID 123264045

IUPAC3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)c(C)c2)CCN(S(=O)(=O)NC2(C)COC2)C1
InChIInChI=1S/C18H26FN3O4S/c1-4-18(16(23)20-14-5-6-15(19)13(2)9-14)7-8-22(10-18)27(24,25)21-17(3)11-26-12-17/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyQPRJUFQPQVVDFU-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.80
Rot. Bonds6

About 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide

3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide (PubChem CID 123264045) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide
PubChem CID123264045
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)c(C)c2)CCN(S(=O)(=O)NC2(C)COC2)C1
InChIInChI=1S/C18H26FN3O4S/c1-4-18(16(23)20-14-5-6-15(19)13(2)9-14)7-8-22(10-18)27(24,25)21-17(3)11-26-12-17/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyQPRJUFQPQVVDFU-UHFFFAOYSA-N
XLogP1.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
CID 121295225
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
1-(3,4-difluorophenyl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149274
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
CID 90075165
(3S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 129467066
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149357
3-fluoro-N-(4-fluoro-3-methylphenyl)-1-methyl-4-[2-[(3-methyloxetan-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 146384223
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide (CID 123264045) is 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(F)c(C)c2)CCN(S(=O)(=O)NC2(C)COC2)C1.
What is the InChIKey of 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide?
The InChIKey is QPRJUFQPQVVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c1-4-18(16(23)20-14-5-6-15(19)13(2)9-14)7-8-22(10-18)27(24,25)21-17(3)11-26-12-17/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,20,23).
What are the key properties of 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide?
3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123264045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).