2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C18H23FN2O2S — CID 72909092

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCO)C(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C18H23FN2O2S/c1-13-7-10-24-16(13)12-21(8-9-22)18(23)17(20(2)3)14-5-4-6-15(19)11-14/h4-7,10-11,17,22H,8-9,12H2,1-3H3
InChIKeyVPWUPVHCTXHWQB-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.82
Rot. Bonds7

About 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 72909092) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID72909092
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCO)C(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C18H23FN2O2S/c1-13-7-10-24-16(13)12-21(8-9-22)18(23)17(20(2)3)14-5-4-6-15(19)11-14/h4-7,10-11,17,22H,8-9,12H2,1-3H3
InChIKeyVPWUPVHCTXHWQB-UHFFFAOYSA-N
XLogP2.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 72909092) is 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(CCO)C(=O)C(c1cccc(F)c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is VPWUPVHCTXHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-13-7-10-24-16(13)12-21(8-9-22)18(23)17(20(2)3)14-5-4-6-15(19)11-14/h4-7,10-11,17,22H,8-9,12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 72909092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).