(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C19H18N4O2S — CID 97012959

IUPAC(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C19H18N4O2S/c24-19(23-12-1-4-16(23)17-5-2-13-26-17)22-14-6-8-15(9-7-14)25-18-20-10-3-11-21-18/h2-3,5-11,13,16H,1,4,12H2,(H,22,24)/t16-/m1/s1
InChIKeySLWATVWIEFHAOL-MRXNPFEDSA-N
MW366.45 g/mol
LogP4.70
Rot. Bonds4

About (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 97012959) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID97012959
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C19H18N4O2S/c24-19(23-12-1-4-16(23)17-5-2-13-26-17)22-14-6-8-15(9-7-14)25-18-20-10-3-11-21-18/h2-3,5-11,13,16H,1,4,12H2,(H,22,24)/t16-/m1/s1
InChIKeySLWATVWIEFHAOL-MRXNPFEDSA-N
XLogP4.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 138047918
(2S)-N-(4-methoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 8658799
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 97012959) is (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is SLWATVWIEFHAOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-19(23-12-1-4-16(23)17-5-2-13-26-17)22-14-6-8-15(9-7-14)25-18-20-10-3-11-21-18/h2-3,5-11,13,16H,1,4,12H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97012959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).