N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C16H14F2N2O3S — CID 90511249

IUPACN-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H14F2N2O3S/c17-16(18)23-12-4-1-3-11(7-12)19-14(21)10-8-20(9-10)15(22)13-5-2-6-24-13/h1-7,10,16H,8-9H2,(H,19,21)
InChIKeyLXJSYLBOHNQONA-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511249) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511249
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H14F2N2O3S/c17-16(18)23-12-4-1-3-11(7-12)19-14(21)10-8-20(9-10)15(22)13-5-2-6-24-13/h1-7,10,16H,8-9H2,(H,19,21)
InChIKeyLXJSYLBOHNQONA-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
CID 71785615
N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55751909
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-[4-(difluoromethoxy)phenyl]-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide
CID 9218517
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511249) is N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is LXJSYLBOHNQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-16(18)23-12-4-1-3-11(7-12)19-14(21)10-8-20(9-10)15(22)13-5-2-6-24-13/h1-7,10,16H,8-9H2,(H,19,21).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).