N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide

C17H18FNO3S — CID 99873672

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1F
InChIInChI=1S/C17H18FNO3S/c1-22-14-7-4-11(9-13(14)18)16(20)19-10-17(21,12-5-6-12)15-3-2-8-23-15/h2-4,7-9,12,21H,5-6,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyUMJLJKUFGLCETN-KRWDZBQOSA-N
MW335.40 g/mol
LogP2.92
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 99873672) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
PubChem CID99873672
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1F
InChIInChI=1S/C17H18FNO3S/c1-22-14-7-4-11(9-13(14)18)16(20)19-10-17(21,12-5-6-12)15-3-2-8-23-15/h2-4,7-9,12,21H,5-6,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyUMJLJKUFGLCETN-KRWDZBQOSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide (CID 99873672) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1F.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is UMJLJKUFGLCETN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-14-7-4-11(9-13(14)18)16(20)19-10-17(21,12-5-6-12)15-3-2-8-23-15/h2-4,7-9,12,21H,5-6,10H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 335.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 99873672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).