N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide

C16H22FN3O4S — CID 140703463

IUPACN-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)N[C@H]3CCOC3)C2)ccc1F
InChIInChI=1S/C16H22FN3O4S/c1-11-8-13(2-3-15(11)17)18-16(21)12-4-6-20(9-12)25(22,23)19-14-5-7-24-10-14/h2-3,8,12,14,19H,4-7,9-10H2,1H3,(H,18,21)/t12?,14-/m0/s1
InChIKeyYLNMMYXWNIFVMX-PYMCNQPYSA-N
MW371.43 g/mol
LogP1.02
Rot. Bonds5

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

N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide (PubChem CID 140703463) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
PubChem CID140703463
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)N[C@H]3CCOC3)C2)ccc1F
InChIInChI=1S/C16H22FN3O4S/c1-11-8-13(2-3-15(11)17)18-16(21)12-4-6-20(9-12)25(22,23)19-14-5-7-24-10-14/h2-3,8,12,14,19H,4-7,9-10H2,1H3,(H,18,21)/t12?,14-/m0/s1
InChIKeyYLNMMYXWNIFVMX-PYMCNQPYSA-N
XLogP1.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 118877225
(3S)-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxycyclohexyl)sulfonylpyrrolidine-3-carboxamide
CID 86301719
3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 90075345
2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide
CID 123506299
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3S)-N-(4-fluoro-3-methylphenyl)-1-[2-[[(E)-1-hydroxyprop-1-en-2-yl]amino]-2-oxoacetyl]pyrrolidine-3-carboxamide
CID 129208964
1-[2-[[(2R)-butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 122535382

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide (CID 140703463) is N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)N[C@H]3CCOC3)C2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide?
The InChIKey is YLNMMYXWNIFVMX-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-11-8-13(2-3-15(11)17)18-16(21)12-4-6-20(9-12)25(22,23)19-14-5-7-24-10-14/h2-3,8,12,14,19H,4-7,9-10H2,1H3,(H,18,21)/t12?,14-/m0/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 140703463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).