5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide

C16H17FN2O3S — CID 78896808

IUPAC5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC(C)CO
InChIInChI=1S/C16H17FN2O3S/c1-9-6-13(23-14(9)16(22)18-10(2)8-20)19-15(21)11-4-3-5-12(17)7-11/h3-7,10,20H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZQHLLYSPPIUIGG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.56
Rot. Bonds5

About 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 78896808) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID78896808
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC(C)CO
InChIInChI=1S/C16H17FN2O3S/c1-9-6-13(23-14(9)16(22)18-10(2)8-20)19-15(21)11-4-3-5-12(17)7-11/h3-7,10,20H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZQHLLYSPPIUIGG-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide
CID 3542312
1-(3-((2-Hydroxyethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560910
N-tert-butyl-1-[[5-[(4-fluorobenzoyl)amino]thiophen-3-yl]methyl]piperidine-4-carboxamide
CID 72704651
2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
CID 134149438
2-(butanoylamino)-N-butyl-5-phenylthiophene-3-carboxamide
CID 134150456
N-[5-ethyl-3-[(3-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide
CID 4106822
5-acetamido-N-[(2,4-difluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 40145204
5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 41374052
3-[[2-hydroxyethyl(thiophen-3-ylmethyl)carbamoyl]amino]-N,N-dimethylbenzamide
CID 49613954
N-(3-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53165436
N-[(4-Fluorophenyl)methyl]-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53165446

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide (CID 78896808) is 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC(C)CO.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is ZQHLLYSPPIUIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-9-6-13(23-14(9)16(22)18-10(2)8-20)19-15(21)11-4-3-5-12(17)7-11/h3-7,10,20H,8H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 78896808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).