methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C19H15FN2O4S2 — CID 1131500

IUPACmethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C19H15FN2O4S2/c1-10-14(19(25)26-2)18(22-16(23)13-8-5-9-27-13)28-15(10)17(24)21-12-7-4-3-6-11(12)20/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyNMVPKTPCQPMIRX-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.55
Rot. Bonds5

About methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 1131500) has the molecular formula C19H15FN2O4S2 and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID1131500
Molecular FormulaC19H15FN2O4S2
Molecular Weight418.47 g/mol
Exact Mass418.05
IUPAC Namemethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C19H15FN2O4S2/c1-10-14(19(25)26-2)18(22-16(23)13-8-5-9-27-13)28-15(10)17(24)21-12-7-4-3-6-11(12)20/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyNMVPKTPCQPMIRX-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(2-fluorophenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1015054
methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 17061584
methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131033
ethyl 2-benzamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2170543
ethyl 5-[(2-fluorophenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2167789
ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1123345
methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1010283
ethyl 2-[(2-fluorobenzoyl)amino]-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17065098
ethyl 5-[(2-fluorophenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 1087388
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 2-benzamido-5-[(2,3-dichlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061110

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 1131500) is methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2F)c1C.
What is the InChIKey of methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is NMVPKTPCQPMIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S2/c1-10-14(19(25)26-2)18(22-16(23)13-8-5-9-27-13)28-15(10)17(24)21-12-7-4-3-6-11(12)20/h3-9H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1131500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).