N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide

C25H22N2O5 — CID 41294972

IUPACN-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-16(31-19-8-4-3-5-9-19)24(28)27-22-20-10-6-7-11-21(20)32-23(22)25(29)26-17-12-14-18(30-2)15-13-17/h3-16H,1-2H3,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyURXMUPYYTZYLNA-INIZCTEOSA-N
MW430.46 g/mol
LogP5.10
Rot. Bonds7

About N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide

N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 41294972) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID41294972
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC NameN-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-16(31-19-8-4-3-5-9-19)24(28)27-22-20-10-6-7-11-21(20)32-23(22)25(29)26-17-12-14-18(30-2)15-13-17/h3-16H,1-2H3,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyURXMUPYYTZYLNA-INIZCTEOSA-N
XLogP5.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide (CID 41294972) is N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is URXMUPYYTZYLNA-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16(31-19-8-4-3-5-9-19)24(28)27-22-20-10-6-7-11-21(20)32-23(22)25(29)26-17-12-14-18(30-2)15-13-17/h3-16H,1-2H3,(H,26,29)(H,27,28)/t16-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide?
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41294972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).