N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide

C21H18FN3O2S — CID 59761433

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C21H18FN3O2S/c1-12-2-3-13(20(26)24-16-4-5-16)9-17(12)25-21(27)19-7-6-18(28-19)14-8-15(22)11-23-10-14/h2-3,6-11,16H,4-5H2,1H3,(H,24,26)(H,25,27)
InChIKeyGWAMNECAZIXYSS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.40
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 59761433) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide
PubChem CID59761433
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C21H18FN3O2S/c1-12-2-3-13(20(26)24-16-4-5-16)9-17(12)25-21(27)19-7-6-18(28-19)14-8-15(22)11-23-10-14/h2-3,6-11,16H,4-5H2,1H3,(H,24,26)(H,25,27)
InChIKeyGWAMNECAZIXYSS-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide (CID 59761433) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cncc(F)c2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is GWAMNECAZIXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12-2-3-13(20(26)24-16-4-5-16)9-17(12)25-21(27)19-7-6-18(28-19)14-8-15(22)11-23-10-14/h2-3,6-11,16H,4-5H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(5-fluoro-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 59761433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).