(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide

C18H20N2O2S — CID 97218743

IUPAC(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)[C@H]2CCCS2)c2cccnc2)c1
InChIInChI=1S/C18H20N2O2S/c1-22-15-7-2-5-13(11-15)17(14-6-3-9-19-12-14)20-18(21)16-8-4-10-23-16/h2-3,5-7,9,11-12,16-17H,4,8,10H2,1H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyBCORIMLLJOWYHS-IAGOWNOFSA-N
MW328.44 g/mol
LogP3.19
Rot. Bonds5

About (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide

(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide (PubChem CID 97218743) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide
PubChem CID97218743
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)[C@H]2CCCS2)c2cccnc2)c1
InChIInChI=1S/C18H20N2O2S/c1-22-15-7-2-5-13(11-15)17(14-6-3-9-19-12-14)20-18(21)16-8-4-10-23-16/h2-3,5-7,9,11-12,16-17H,4,8,10H2,1H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyBCORIMLLJOWYHS-IAGOWNOFSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(S)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213232
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine
CID 167763481
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide
CID 100686284
1-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 41022660
N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
CID 75514113
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide?
The IUPAC name of (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide (CID 97218743) is (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide is COc1cccc([C@@H](NC(=O)[C@H]2CCCS2)c2cccnc2)c1.
What is the InChIKey of (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide?
The InChIKey is BCORIMLLJOWYHS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-22-15-7-2-5-13(11-15)17(14-6-3-9-19-12-14)20-18(21)16-8-4-10-23-16/h2-3,5-7,9,11-12,16-17H,4,8,10H2,1H3,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide?
(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide is sourced from PubChem (CID 97218743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).