5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

C20H18FN3O2S — CID 138490336

IUPAC5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)ccc1F
InChIInChI=1S/C20H18FN3O2S/c1-11-10-14(8-9-15(11)21)24-19(25)16-12(2)17(27-18(16)22)20(26)23-13-6-4-3-5-7-13/h3-10H,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRWTZDXQYHLXINA-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.59
Rot. Bonds4

About 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 138490336) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
PubChem CID138490336
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)ccc1F
InChIInChI=1S/C20H18FN3O2S/c1-11-10-14(8-9-15(11)21)24-19(25)16-12(2)17(27-18(16)22)20(26)23-13-6-4-3-5-7-13/h3-10H,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRWTZDXQYHLXINA-UHFFFAOYSA-N
XLogP4.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-Benzamidophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25138002
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
2-benzamido-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1659787
N-phenyl-2-[(phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3119669
N-phenyl-2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1107220
N-(2-methylphenyl)-2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1107221
N-(2-methylphenyl)-2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3825946
1-(5-Phenyl-3-(phenylcarbamoyl)thiophen-2-yl)urea
CID 9923895
N-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126118288
N-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126120777

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (CID 138490336) is 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is Cc1cc(NC(=O)c2c(N)sc(C(=O)Nc3ccccc3)c2C)ccc1F.
What is the InChIKey of 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is RWTZDXQYHLXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-11-10-14(8-9-15(11)21)24-19(25)16-12(2)17(27-18(16)22)20(26)23-13-6-4-3-5-7-13/h3-10H,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).