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

C18H23FN2O2S — CID 97203253

IUPAC(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCO)C(=O)[C@H](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/t17-/m0/s1
InChIKeyVPWUPVHCTXHWQB-KRWDZBQOSA-N
MW350.46 g/mol
LogP2.82
Rot. Bonds7

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

(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 97203253) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID97203253
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCO)C(=O)[C@H](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/t17-/m0/s1
InChIKeyVPWUPVHCTXHWQB-KRWDZBQOSA-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 (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 97203253) is (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(CCO)C(=O)[C@H](c1cccc(F)c1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is VPWUPVHCTXHWQB-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
(2S)-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 (2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 97203253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).