N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide

C17H19NO3S — CID 164634623

IUPACN-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)c2cccs2)cc1)C1CCOCC1
InChIInChI=1S/C17H19NO3S/c19-16(15-2-1-11-22-15)12-3-5-14(6-4-12)18-17(20)13-7-9-21-10-8-13/h1-6,11,13,16,19H,7-10H2,(H,18,20)/t16-/m1/s1
InChIKeyPBEXAKSWHDDEMY-MRXNPFEDSA-N
MW317.41 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide

N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide (PubChem CID 164634623) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide
PubChem CID164634623
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)c2cccs2)cc1)C1CCOCC1
InChIInChI=1S/C17H19NO3S/c19-16(15-2-1-11-22-15)12-3-5-14(6-4-12)18-17(20)13-7-9-21-10-8-13/h1-6,11,13,16,19H,7-10H2,(H,18,20)/t16-/m1/s1
InChIKeyPBEXAKSWHDDEMY-MRXNPFEDSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide (CID 164634623) is N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide is O=C(Nc1ccc([C@@H](O)c2cccs2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide?
The InChIKey is PBEXAKSWHDDEMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-16(15-2-1-11-22-15)12-3-5-14(6-4-12)18-17(20)13-7-9-21-10-8-13/h1-6,11,13,16,19H,7-10H2,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide?
N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 164634623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).