(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C16H16N2O3S — CID 41468767

IUPAC(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C16H16N2O3S/c19-13-5-3-12(4-6-13)18-10-11(8-15(18)20)16(21)17-9-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1
InChIKeyTXTFYWSKUVOIHZ-LLVKDONJSA-N
MW316.38 g/mol
LogP2.12
Rot. Bonds4

About (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 41468767) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID41468767
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C16H16N2O3S/c19-13-5-3-12(4-6-13)18-10-11(8-15(18)20)16(21)17-9-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1
InChIKeyTXTFYWSKUVOIHZ-LLVKDONJSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 848285
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466
(3R)-1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 40977719
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51154516
(3S)-1-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 40977717
1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131930496
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 41468767) is (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1.
What is the InChIKey of (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is TXTFYWSKUVOIHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-13-5-3-12(4-6-13)18-10-11(8-15(18)20)16(21)17-9-14-2-1-7-22-14/h1-7,11,19H,8-10H2,(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 41468767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).