5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide

C20H24FN3O3S — CID 55852973

IUPAC5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C20H24FN3O3S/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)28-18(13)20(26)22-12-14(2)24-6-8-27-9-7-24/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySWSCBVNXTHHVQM-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.90
Rot. Bonds6

About 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 55852973) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID55852973
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C20H24FN3O3S/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)28-18(13)20(26)22-12-14(2)24-6-8-27-9-7-24/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySWSCBVNXTHHVQM-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119997371
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78897906
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
CID 119583984
3-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207193
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119375637
4-[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 119239290
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 60508290

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 55852973) is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)N1CCOCC1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is SWSCBVNXTHHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)28-18(13)20(26)22-12-14(2)24-6-8-27-9-7-24/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 55852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).