(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide

C13H17FN2O4S — CID 167773559

IUPAC(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccccc2F)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-10-6-12(13(15)17)16(7-10)21(18,19)8-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H2,15,17)/t10-,12-/m0/s1
InChIKeyQTZWPKIDXIMZSY-JQWIXIFHSA-N
MW316.35 g/mol
LogP0.23
Rot. Bonds5

About (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 167773559) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID167773559
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccccc2F)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-10-6-12(13(15)17)16(7-10)21(18,19)8-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H2,15,17)/t10-,12-/m0/s1
InChIKeyQTZWPKIDXIMZSY-JQWIXIFHSA-N
XLogP0.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982159
[(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198972
(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978202
methyl (2S,4S)-1-benzylsulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 129409990
(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide
CID 128975202
tert-butyl (3R)-4-[(2-fluorophenyl)methylsulfonyl]-3-methylpiperazine-1-carboxylate
CID 97177218
1-[2-(2-iodophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120534457
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
(2S,4S)-1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979806
(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982212
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
CID 136520750

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide (CID 167773559) is (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccccc2F)C1.
What is the InChIKey of (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is QTZWPKIDXIMZSY-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-10-6-12(13(15)17)16(7-10)21(18,19)8-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H2,15,17)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 167773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).