2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide

C23H22ClN5O2S — CID 68695654

IUPAC2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(c2ccsc2)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN5O2S/c1-28-12-11-26-21(28)15-2-6-18(7-3-15)27-22(30)20(16-10-13-32-14-16)29(23(25)31)19-8-4-17(24)5-9-19/h2-10,13-14,20H,11-12H2,1H3,(H2,25,31)(H,27,30)
InChIKeyVFAOYSCHKJPRBT-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.36
Rot. Bonds6

About 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide

2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 68695654) has the molecular formula C23H22ClN5O2S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID68695654
Molecular FormulaC23H22ClN5O2S
Molecular Weight467.98 g/mol
Exact Mass467.12
IUPAC Name2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(c2ccsc2)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN5O2S/c1-28-12-11-26-21(28)15-2-6-18(7-3-15)27-22(30)20(16-10-13-32-14-16)29(23(25)31)19-8-4-17(24)5-9-19/h2-10,13-14,20H,11-12H2,1H3,(H2,25,31)(H,27,30)
InChIKeyVFAOYSCHKJPRBT-UHFFFAOYSA-N
XLogP4.36
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide (CID 68695654) is 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide is CN1CCN=C1c1ccc(NC(=O)C(c2ccsc2)N(C(N)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is VFAOYSCHKJPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2S/c1-28-12-11-26-21(28)15-2-6-18(7-3-15)27-22(30)20(16-10-13-32-14-16)29(23(25)31)19-8-4-17(24)5-9-19/h2-10,13-14,20H,11-12H2,1H3,(H2,25,31)(H,27,30).
What are the key properties of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide?
2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 467.98 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 68695654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).