2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

C14H14F2N2OS — CID 60991456

IUPAC2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2OS/c1-14(13(17)19,18-8-10-3-2-6-20-10)9-4-5-11(15)12(16)7-9/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyASWKNTSOKBGQMG-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.52
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide

2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 60991456) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID60991456
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCC(NCc1cccs1)(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2OS/c1-14(13(17)19,18-8-10-3-2-6-20-10)9-4-5-11(15)12(16)7-9/h2-7,18H,8H2,1H3,(H2,17,19)
InChIKeyASWKNTSOKBGQMG-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 54889525
2-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991594
methyl 2-(3-bromo-4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 62913533
methyl 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 82956328
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913529
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
CID 66165551
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
ethyl 3,3,3-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)propanoate
CID 106523353

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide (CID 60991456) is 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is CC(NCc1cccs1)(C(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is ASWKNTSOKBGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-14(13(17)19,18-8-10-3-2-6-20-10)9-4-5-11(15)12(16)7-9/h2-7,18H,8H2,1H3,(H2,17,19).
What are the key properties of 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide?
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 296.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 60991456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).