N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H17ClN4O3S — CID 31313716

About N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31313716) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 31313716
• Molecular Formula: C21H17ClN4O3S
• Molecular Weight: 440.91 g/mol
• Exact Mass: 440.07
• IUPAC Name: N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cn1ccnc1[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(Cl)cc1
• InChI: InChI=1S/C21H17ClN4O3S/c1-26-11-10-23-19(26)18(13-4-6-14(22)7-5-13)25-21(28)16-8-9-17(30-16)24-20(27)15-3-2-12-29-15/h2-12,18H,1H3,(H,24,27)(H,25,28)/t18-/m1/s1
• InChIKey: LUEHHRCVPMTAPK-GOSISDBHSA-N
• XLogP: 4.50
• TPSA: 89.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.91
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31313716) is N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cn1ccnc1[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(Cl)cc1.

What is the InChIKey of N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is LUEHHRCVPMTAPK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-26-11-10-23-19(26)18(13-4-6-14(22)7-5-13)25-21(28)16-8-9-17(30-16)24-20(27)15-3-2-12-29-15/h2-12,18H,1H3,(H,24,27)(H,25,28)/t18-/m1/s1.

What are the key properties of N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31313716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).