[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone

C22H21NO3S — CID 126790939

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)cc1OCc1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C22H21NO3S/c24-18-11-12-23(14-18)22(25)21-19(26-15-16-7-3-1-4-8-16)13-20(27-21)17-9-5-2-6-10-17/h1-10,13,18,24H,11-12,14-15H2/t18-/m0/s1
InChIKeyGRLFGHUTOJWXDC-SFHVURJKSA-N
MW379.48 g/mol
LogP4.20
Rot. Bonds5

About [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone (PubChem CID 126790939) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
PubChem CID126790939
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)cc1OCc1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C22H21NO3S/c24-18-11-12-23(14-18)22(25)21-19(26-15-16-7-3-1-4-8-16)13-20(27-21)17-9-5-2-6-10-17/h1-10,13,18,24H,11-12,14-15H2/t18-/m0/s1
InChIKeyGRLFGHUTOJWXDC-SFHVURJKSA-N
XLogP4.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
N-(2-hydroxyethyl)-5-phenyl-3-phenylmethoxythiophene-2-carboxamide
CID 78888376
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119595140
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone (CID 126790939) is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone is O=C(c1sc(-c2ccccc2)cc1OCc1ccccc1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone?
The InChIKey is GRLFGHUTOJWXDC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21NO3S/c24-18-11-12-23(14-18)22(25)21-19(26-15-16-7-3-1-4-8-16)13-20(27-21)17-9-5-2-6-10-17/h1-10,13,18,24H,11-12,14-15H2/t18-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone has a molecular weight of 379.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone is sourced from PubChem (CID 126790939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).