(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H18N2O2S — CID 94054166

IUPAC(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C16H18N2O2S/c19-14-5-3-12(4-6-14)10-17-16(20)18-8-1-2-15(18)13-7-9-21-11-13/h3-7,9,11,15,19H,1-2,8,10H2,(H,17,20)/t15-/m0/s1
InChIKeyRYDBRAFDWYJTNP-HNNXBMFYSA-N
MW302.40 g/mol
LogP3.50
Rot. Bonds3

About (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94054166) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94054166
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C16H18N2O2S/c19-14-5-3-12(4-6-14)10-17-16(20)18-8-1-2-15(18)13-7-9-21-11-13/h3-7,9,11,15,19H,1-2,8,10H2,(H,17,20)/t15-/m0/s1
InChIKeyRYDBRAFDWYJTNP-HNNXBMFYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94053971
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 51084353
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
(2S)-N-[(3R)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058656
(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058661
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94054166) is (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(NCc1ccc(O)cc1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is RYDBRAFDWYJTNP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-14-5-3-12(4-6-14)10-17-16(20)18-8-1-2-15(18)13-7-9-21-11-13/h3-7,9,11,15,19H,1-2,8,10H2,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94054166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).