3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide

C14H14F2N2OS — CID 61103749

IUPAC3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1sccc1N
InChIInChI=1S/C14H14F2N2OS/c1-8(7-9-10(15)3-2-4-11(9)16)18-14(19)13-12(17)5-6-20-13/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyPYAIEDYWMGEEAJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide

3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 61103749) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
PubChem CID61103749
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1sccc1N
InChIInChI=1S/C14H14F2N2OS/c1-8(7-9-10(15)3-2-4-11(9)16)18-14(19)13-12(17)5-6-20-13/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyPYAIEDYWMGEEAJ-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
3-chloro-N-[1-(2,6-difluorophenyl)propan-2-yl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 55860623
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
3-amino-N-hexan-3-ylthiophene-2-carboxamide
CID 62092927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide (CID 61103749) is 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide is CC(Cc1c(F)cccc1F)NC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is PYAIEDYWMGEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-8(7-9-10(15)3-2-4-11(9)16)18-14(19)13-12(17)5-6-20-13/h2-6,8H,7,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide?
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 61103749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).