N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride

C17H21ClFN3O2S — CID 119583984

IUPACN-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10-7-14(20-16(22)12-5-4-6-13(18)8-12)24-15(10)17(23)21(3)11(2)9-19;/h4-8,11H,9,19H2,1-3H3,(H,20,22);1H
InChIKeyGXCLOEGZVASBRT-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.29
Rot. Bonds5

About N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride (PubChem CID 119583984) has the molecular formula C17H21ClFN3O2S and a molecular weight of 385.89 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
PubChem CID119583984
Molecular FormulaC17H21ClFN3O2S
Molecular Weight385.89 g/mol
Exact Mass385.10
IUPAC NameN-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10-7-14(20-16(22)12-5-4-6-13(18)8-12)24-15(10)17(23)21(3)11(2)9-19;/h4-8,11H,9,19H2,1-3H3,(H,20,22);1H
InChIKeyGXCLOEGZVASBRT-UHFFFAOYSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119997371
3-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207193
N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 52510543
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylthiophene-2-carboxamide
CID 55894632
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119375637
5-[(3-fluorobenzoyl)amino]-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methylthiophene-2-carboxamide
CID 55907645
N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119582221
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 55852973
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride (CID 119583984) is N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride?
The InChIKey is GXCLOEGZVASBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S.ClH/c1-10-7-14(20-16(22)12-5-4-6-13(18)8-12)24-15(10)17(23)21(3)11(2)9-19;/h4-8,11H,9,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119583984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).