N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

C24H26ClN3O4S — CID 25314919

About N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 25314919) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
• PubChem CID: 25314919
• Molecular Formula: C24H26ClN3O4S
• Molecular Weight: 488.01 g/mol
• Exact Mass: 487.13
• IUPAC Name: N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
• SMILES: CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccc(Cl)c1
• InChI: InChI=1S/C24H26ClN3O4S/c1-4-24(2,3)27-23(31)21(18-10-6-12-32-18)28(17-9-5-8-16(25)14-17)20(29)15-26-22(30)19-11-7-13-33-19/h5-14,21H,4,15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m1/s1
• InChIKey: UAXVRQDIPQFJEJ-OAQYLSRUSA-N
• XLogP: 4.80
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.01
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (CID 25314919) is N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccc(Cl)c1.

What is the InChIKey of N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?

The InChIKey is UAXVRQDIPQFJEJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-4-24(2,3)27-23(31)21(18-10-6-12-32-18)28(17-9-5-8-16(25)14-17)20(29)15-26-22(30)19-11-7-13-33-19/h5-14,21H,4,15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m1/s1.

What are the key properties of N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?

N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 25314919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).