N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C24H26N4O4S — CID 55894433

About N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55894433) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• PubChem CID: 55894433
• Molecular Formula: C24H26N4O4S
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.17
• IUPAC Name: N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1nc(CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cs1
• InChI: InChI=1S/C24H26N4O4S/c1-15-20(9-10-32-15)23(31)28-24-27-19(14-33-24)12-21(29)25-13-16-5-4-8-18(11-16)26-22(30)17-6-2-3-7-17/h4-5,8-11,14,17H,2-3,6-7,12-13H2,1H3,(H,25,29)(H,26,30)(H,27,28,31)
• InChIKey: YIJRNDVGYMZOHO-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 113.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55894433) is N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cs1.

What is the InChIKey of N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The InChIKey is YIJRNDVGYMZOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-20(9-10-32-15)23(31)28-24-27-19(14-33-24)12-21(29)25-13-16-5-4-8-18(11-16)26-22(30)17-6-2-3-7-17/h4-5,8-11,14,17H,2-3,6-7,12-13H2,1H3,(H,25,29)(H,26,30)(H,27,28,31).

What are the key properties of N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55894433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).