2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide

C15H15F2N3O2S — CID 9377128

IUPAC2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2S/c1-8(9-2-3-11(16)12(17)6-9)19-7-13(21)20-15-10(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m1/s1
InChIKeySUBQUGNDKWYCEZ-MRVPVSSYSA-N
MW339.37 g/mol
LogP2.41
Rot. Bonds6

About 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 9377128) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID9377128
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2S/c1-8(9-2-3-11(16)12(17)6-9)19-7-13(21)20-15-10(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m1/s1
InChIKeySUBQUGNDKWYCEZ-MRVPVSSYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide (CID 9377128) is 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide is C[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is SUBQUGNDKWYCEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c1-8(9-2-3-11(16)12(17)6-9)19-7-13(21)20-15-10(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/t8-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9377128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).