N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C30H31FN2O4S2 — CID 4082624

About N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 4082624) has the molecular formula C30H31FN2O4S2 and a molecular weight of 566.72 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
• PubChem CID: 4082624
• Molecular Formula: C30H31FN2O4S2
• Molecular Weight: 566.72 g/mol
• Exact Mass: 566.17
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
• SMILES: Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC1CCCO1)S(=O)(=O)c1cccc2ccccc12
• InChI: InChI=1S/C30H31FN2O4S2/c1-22-15-17-38-28(22)20-32(18-23-11-13-25(31)14-12-23)30(34)21-33(19-26-8-5-16-37-26)39(35,36)29-10-4-7-24-6-2-3-9-27(24)29/h2-4,6-7,9-15,17,26H,5,8,16,18-21H2,1H3
• InChIKey: UPCSEDBIEIJJHW-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.72
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 4082624) is N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC1CCCO1)S(=O)(=O)c1cccc2ccccc12.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?

The InChIKey is UPCSEDBIEIJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O4S2/c1-22-15-17-38-28(22)20-32(18-23-11-13-25(31)14-12-23)30(34)21-33(19-26-8-5-16-37-26)39(35,36)29-10-4-7-24-6-2-3-9-27(24)29/h2-4,6-7,9-15,17,26H,5,8,16,18-21H2,1H3.

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?

N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 566.72 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 4082624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).