3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide

C13H20F2N2O2S — CID 56790601

IUPAC3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC(C)CCN(C)C)s1
InChIInChI=1S/C13H20F2N2O2S/c1-8(5-6-17(3)4)16-12(18)11-10(19-13(14)15)7-9(2)20-11/h7-8,13H,5-6H2,1-4H3,(H,16,18)
InChIKeyGXFWDVIOPQUAAC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.73
Rot. Bonds7

About 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide

3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide (PubChem CID 56790601) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
PubChem CID56790601
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC(C)CCN(C)C)s1
InChIInChI=1S/C13H20F2N2O2S/c1-8(5-6-17(3)4)16-12(18)11-10(19-13(14)15)7-9(2)20-11/h7-8,13H,5-6H2,1-4H3,(H,16,18)
InChIKeyGXFWDVIOPQUAAC-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 56790599
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 72013954
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 72014074
(4-Cyclopropylpiperazin-1-yl)-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 72014113
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 72014818
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 72105449
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 19864622
3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 71847677
3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
CID 71867296
3-(difluoromethoxy)-5-methyl-N-[4-(oxolan-2-yl)butan-2-yl]thiophene-2-carboxamide
CID 72014099
N-(1-Cyanoethyl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 72023017
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 72134852

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide (CID 56790601) is 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)NC(C)CCN(C)C)s1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is GXFWDVIOPQUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-8(5-6-17(3)4)16-12(18)11-10(19-13(14)15)7-9(2)20-11/h7-8,13H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide?
3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 56790601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).