(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H17FN2O3S2 — CID 2517258

IUPAC(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S2/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20)/t14-/m0/s1
InChIKeyNFCUUDCDAKFJIF-AWEZNQCLSA-N
MW368.46 g/mol
LogP2.36
Rot. Bonds5

About (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 2517258) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID2517258
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S2/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20)/t14-/m0/s1
InChIKeyNFCUUDCDAKFJIF-AWEZNQCLSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 2517258) is (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NFCUUDCDAKFJIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-13-6-1-2-8-15(13)24(21,22)19-9-3-7-14(19)16(20)18-11-12-5-4-10-23-12/h1-2,4-6,8,10,14H,3,7,9,11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2517258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).