2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide

C17H20F2N2O2S — CID 32632483

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCN(C)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(2)15(13-7-8-24-11-13)10-20-16(22)9-12-3-5-14(6-4-12)23-17(18)19/h3-8,11,15,17H,9-10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyMTVANZBHHVVKBL-OAHLLOKOSA-N
MW354.42 g/mol
LogP3.31
Rot. Bonds8

About 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide (PubChem CID 32632483) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
PubChem CID32632483
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCN(C)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(2)15(13-7-8-24-11-13)10-20-16(22)9-12-3-5-14(6-4-12)23-17(18)19/h3-8,11,15,17H,9-10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyMTVANZBHHVVKBL-OAHLLOKOSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 47024523
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51251248
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-phenoxy-2-phenylacetamide
CID 55761482
2-(2,4-dichlorophenyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32631221
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide (CID 32632483) is 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide is CN(C)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is MTVANZBHHVVKBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-21(2)15(13-7-8-24-11-13)10-20-16(22)9-12-3-5-14(6-4-12)23-17(18)19/h3-8,11,15,17H,9-10H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 354.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 32632483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).