N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide

C11H16F2N2O2S — CID 119499716

IUPACN-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NCCC(C)N)s1
InChIInChI=1S/C11H16F2N2O2S/c1-6(14)3-4-15-10(16)9-8(17-11(12)13)5-7(2)18-9/h5-6,11H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyWIDJHBJADYPWCU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.13
Rot. Bonds6

About N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide

N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide (PubChem CID 119499716) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
PubChem CID119499716
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NCCC(C)N)s1
InChIInChI=1S/C11H16F2N2O2S/c1-6(14)3-4-15-10(16)9-8(17-11(12)13)5-7(2)18-9/h5-6,11H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyWIDJHBJADYPWCU-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119504399
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 120657272
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 119487308
4-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173000
3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
CID 96547519
N-(3-aminobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119498037
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide (CID 119499716) is N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)NCCC(C)N)s1.
What is the InChIKey of N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide?
The InChIKey is WIDJHBJADYPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-6(14)3-4-15-10(16)9-8(17-11(12)13)5-7(2)18-9/h5-6,11H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide?
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 119499716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).