4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide

C18H19F3N2O2S — CID 139302167

IUPAC4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)C(=O)NC(C)(C)C)cs2)ccc1F
InChIInChI=1S/C18H19F3N2O2S/c1-10-7-12(5-6-13(10)19)22-15(24)14-8-11(9-26-14)18(20,21)16(25)23-17(2,3)4/h5-9H,1-4H3,(H,22,24)(H,23,25)
InChIKeyUNHNNUXDEPSBMC-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.45
Rot. Bonds4

About 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide

4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide (PubChem CID 139302167) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
PubChem CID139302167
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)C(=O)NC(C)(C)C)cs2)ccc1F
InChIInChI=1S/C18H19F3N2O2S/c1-10-7-12(5-6-13(10)19)22-15(24)14-8-11(9-26-14)18(20,21)16(25)23-17(2,3)4/h5-9H,1-4H3,(H,22,24)(H,23,25)
InChIKeyUNHNNUXDEPSBMC-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
2-[1,1-difluoro-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
CID 139302349
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide (CID 139302167) is 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(C(F)(F)C(=O)NC(C)(C)C)cs2)ccc1F.
What is the InChIKey of 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is UNHNNUXDEPSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-10-7-12(5-6-13(10)19)22-15(24)14-8-11(9-26-14)18(20,21)16(25)23-17(2,3)4/h5-9H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide?
4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 139302167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).