5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C20H19ClN4O3S — CID 25099710

IUPAC5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(Cl)s2)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H19ClN4O3S/c1-24-11-14(10-22-20(27)16-6-7-17(21)29-16)23-19(24)13-2-4-15(5-3-13)25-8-9-28-12-18(25)26/h2-7,11H,8-10,12H2,1H3,(H,22,27)
InChIKeyZNXRLHZBZSDAJY-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.10
Rot. Bonds5

About 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 25099710) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID25099710
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(Cl)s2)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H19ClN4O3S/c1-24-11-14(10-22-20(27)16-6-7-17(21)29-16)23-19(24)13-2-4-15(5-3-13)25-8-9-28-12-18(25)26/h2-7,11H,8-10,12H2,1H3,(H,22,27)
InChIKeyZNXRLHZBZSDAJY-UHFFFAOYSA-N
XLogP3.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 25099710) is 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is Cn1cc(CNC(=O)c2ccc(Cl)s2)nc1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZNXRLHZBZSDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24-11-14(10-22-20(27)16-6-7-17(21)29-16)23-19(24)13-2-4-15(5-3-13)25-8-9-28-12-18(25)26/h2-7,11H,8-10,12H2,1H3,(H,22,27).
What are the key properties of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25099710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).