N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide

C18H14FN3O2S — CID 1449379

IUPACN-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H14FN3O2S/c1-11-8-16(22-18(24)15-6-3-7-25-15)20-10-14(11)21-17(23)12-4-2-5-13(19)9-12/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyMGUIWPMAVFAXLC-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.10
Rot. Bonds4

About N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide

N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 1449379) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
PubChem CID1449379
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H14FN3O2S/c1-11-8-16(22-18(24)15-6-3-7-25-15)20-10-14(11)21-17(23)12-4-2-5-13(19)9-12/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyMGUIWPMAVFAXLC-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide (CID 1449379) is N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is MGUIWPMAVFAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c1-11-8-16(22-18(24)15-6-3-7-25-15)20-10-14(11)21-17(23)12-4-2-5-13(19)9-12/h2-10H,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 1449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).