N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C24H24ClN3O4S — CID 167861753

About N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 167861753) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
• PubChem CID: 167861753
• Molecular Formula: C24H24ClN3O4S
• Molecular Weight: 485.99 g/mol
• Exact Mass: 485.12
• IUPAC Name: N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
• SMILES: CC(NC(=O)c1ccco1)C(=O)NC1CCC(NC(=O)Cc2csc(Cl)c2)c2ccccc21
• InChI: InChI=1S/C24H24ClN3O4S/c1-14(26-24(31)20-7-4-10-32-20)23(30)28-19-9-8-18(16-5-2-3-6-17(16)19)27-22(29)12-15-11-21(25)33-13-15/h2-7,10-11,13-14,18-19H,8-9,12H2,1H3,(H,26,31)(H,27,29)(H,28,30)
• InChIKey: XIISDELRKCDNKK-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 100.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.99
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 167861753) is N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NC1CCC(NC(=O)Cc2csc(Cl)c2)c2ccccc21.

What is the InChIKey of N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?

The InChIKey is XIISDELRKCDNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-14(26-24(31)20-7-4-10-32-20)23(30)28-19-9-8-18(16-5-2-3-6-17(16)19)27-22(29)12-15-11-21(25)33-13-15/h2-7,10-11,13-14,18-19H,8-9,12H2,1H3,(H,26,31)(H,27,29)(H,28,30).

What are the key properties of N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?

N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 485.99 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[[2-(5-chlorothiophen-3-yl)acetyl]amino]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 167861753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).