N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C22H20FN3O5S — CID 55844666

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1OCC(N)=O
InChIInChI=1S/C22H20FN3O5S/c1-12-8-19(26-21(28)13-4-3-5-14(23)9-13)32-20(12)22(29)25-15-6-7-16(30-2)17(10-15)31-11-18(24)27/h3-10H,11H2,1-2H3,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyVBZCONHAOLYRCP-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.57
Rot. Bonds8

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 55844666) has the molecular formula C22H20FN3O5S and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID55844666
Molecular FormulaC22H20FN3O5S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1OCC(N)=O
InChIInChI=1S/C22H20FN3O5S/c1-12-8-19(26-21(28)13-4-3-5-14(23)9-13)32-20(12)22(29)25-15-6-7-16(30-2)17(10-15)31-11-18(24)27/h3-10H,11H2,1-2H3,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyVBZCONHAOLYRCP-UHFFFAOYSA-N
XLogP3.57
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55882314
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 60508290
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192
N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119997371
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
CID 119583984
5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 55824923

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 55844666) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is COc1ccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is VBZCONHAOLYRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5S/c1-12-8-19(26-21(28)13-4-3-5-14(23)9-13)32-20(12)22(29)25-15-6-7-16(30-2)17(10-15)31-11-18(24)27/h3-10H,11H2,1-2H3,(H2,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55844666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).