(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide

C19H18N2O2S — CID 100744368

IUPAC(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14(23-17-5-3-2-4-6-17)19(22)21-12-15-7-9-20-18(11-15)16-8-10-24-13-16/h2-11,13-14H,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyQBNMTDCODBMQDS-CQSZACIVSA-N
MW338.43 g/mol
LogP3.89
Rot. Bonds6

About (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide

(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide (PubChem CID 100744368) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
PubChem CID100744368
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14(23-17-5-3-2-4-6-17)19(22)21-12-15-7-9-20-18(11-15)16-8-10-24-13-16/h2-11,13-14H,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyQBNMTDCODBMQDS-CQSZACIVSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide (CID 100744368) is (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide is C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is QBNMTDCODBMQDS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14(23-17-5-3-2-4-6-17)19(22)21-12-15-7-9-20-18(11-15)16-8-10-24-13-16/h2-11,13-14H,12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide?
(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 338.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 100744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).