N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide

C16H18F2N2O2S — CID 119584154

IUPACN-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-10(9-19)20(2)15(21)14-8-7-13(23-14)11-3-5-12(6-4-11)22-16(17)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyUWVPRSYBIMEZBN-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.44
Rot. Bonds6

About N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide

N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 119584154) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
PubChem CID119584154
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.39 g/mol
Exact Mass340.11
IUPAC NameN-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-10(9-19)20(2)15(21)14-8-7-13(23-14)11-3-5-12(6-4-11)22-16(17)18/h3-8,10,16H,9,19H2,1-2H3
InChIKeyUWVPRSYBIMEZBN-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 119582143
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
CID 54562446
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide
CID 119584203
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide (CID 119584154) is N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide is CC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is UWVPRSYBIMEZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-10(9-19)20(2)15(21)14-8-7-13(23-14)11-3-5-12(6-4-11)22-16(17)18/h3-8,10,16H,9,19H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119584154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).