N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

C28H27N3O4 — CID 25448408

About N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 25448408) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 25448408
• Molecular Formula: C28H27N3O4
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.20
• IUPAC Name: N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(O)c1
• InChI: InChI=1S/C28H27N3O4/c32-22-13-6-12-21(18-22)31(28(34)24-16-15-23(30-24)19-8-2-1-3-9-19)26(25-14-7-17-35-25)27(33)29-20-10-4-5-11-20/h1-3,6-9,12-18,20,26,30,32H,4-5,10-11H2,(H,29,33)/t26-/m1/s1
• InChIKey: LQRYETYVXLSPSD-AREMUKBSSA-N
• XLogP: 5.43
• TPSA: 98.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (CID 25448408) is N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(O)c1.

What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is LQRYETYVXLSPSD-AREMUKBSSA-N. The full InChI is InChI=1S/C28H27N3O4/c32-22-13-6-12-21(18-22)31(28(34)24-16-15-23(30-24)19-8-2-1-3-9-19)26(25-14-7-17-35-25)27(33)29-20-10-4-5-11-20/h1-3,6-9,12-18,20,26,30,32H,4-5,10-11H2,(H,29,33)/t26-/m1/s1.

What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?

N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25448408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).