5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide

C28H23N3O3 — CID 91635435

IUPAC5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
SMILESCc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)c4ccco4)ccc32)c1
InChIInChI=1S/C28H23N3O3/c1-19-7-5-8-20(15-19)18-31-24-13-12-23(30-28(33)26-11-6-14-34-26)16-21(24)17-25(31)27(32)29-22-9-3-2-4-10-22/h2-17H,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyUWYQMJGXIGRSOT-UHFFFAOYSA-N
MW449.51 g/mol
LogP6.10
Rot. Bonds6

About 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide

5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide (PubChem CID 91635435) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
PubChem CID91635435
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
SMILESCc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)c4ccco4)ccc32)c1
InChIInChI=1S/C28H23N3O3/c1-19-7-5-8-20(15-19)18-31-24-13-12-23(30-28(33)26-11-6-14-34-26)16-21(24)17-25(31)27(32)29-22-9-3-2-4-10-22/h2-17H,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyUWYQMJGXIGRSOT-UHFFFAOYSA-N
XLogP6.10
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
1-ethyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273760
N-[3-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]furan-2-carboxamide
CID 17492691
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
5-(furan-2-carbonylamino)-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273417
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide (CID 91635435) is 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide is Cc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc(NC(=O)c4ccco4)ccc32)c1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide?
The InChIKey is UWYQMJGXIGRSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-19-7-5-8-20(15-19)18-31-24-13-12-23(30-28(33)26-11-6-14-34-26)16-21(24)17-25(31)27(32)29-22-9-3-2-4-10-22/h2-17H,18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide?
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide is sourced from PubChem (CID 91635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).