N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C23H25N3O2S2 — CID 55690248

About N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55690248) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55690248
• Molecular Formula: C23H25N3O2S2
• Molecular Weight: 439.61 g/mol
• Exact Mass: 439.14
• IUPAC Name: N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)NC(c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C23H25N3O2S2/c27-20(14-18-15-30-23(24-18)26-22(28)19-12-7-13-29-19)25-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,7-9,12-13,15,17,21H,2,5-6,10-11,14H2,(H,25,27)(H,24,26,28)
• InChIKey: SDLAIAZFJFCYPT-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.61
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55690248) is N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NC(c1ccccc1)C1CCCCC1.

What is the InChIKey of N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is SDLAIAZFJFCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c27-20(14-18-15-30-23(24-18)26-22(28)19-12-7-13-29-19)25-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,7-9,12-13,15,17,21H,2,5-6,10-11,14H2,(H,25,27)(H,24,26,28).

What are the key properties of N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 439.61 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55690248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).