(2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C27H30N6O5 — CID 25448769

About (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

(2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25448769) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25448769
• Molecular Formula: C27H30N6O5
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.23
• IUPAC Name: (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1
• InChI: InChI=1S/C27H30N6O5/c1-17-11-13-22(37-17)25(27(35)28-19-7-4-5-8-19)33(20-9-6-10-21(15-20)36-3)24(34)16-32-30-26(29-31-32)23-14-12-18(2)38-23/h6,9-15,19,25H,4-5,7-8,16H2,1-3H3,(H,28,35)/t25-/m0/s1
• InChIKey: NACFWDKYIVCENE-VWLOTQADSA-N
• XLogP: 3.98
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 25448769) is (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1.

What is the InChIKey of (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is NACFWDKYIVCENE-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N6O5/c1-17-11-13-22(37-17)25(27(35)28-19-7-4-5-8-19)33(20-9-6-10-21(15-20)36-3)24(34)16-32-30-26(29-31-32)23-14-12-18(2)38-23/h6,9-15,19,25H,4-5,7-8,16H2,1-3H3,(H,28,35)/t25-/m0/s1.

What are the key properties of (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

(2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 518.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25448769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).