6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide

C23H19N3O2S — CID 10225096

IUPAC6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(SC)c3)c2c1
InChIInChI=1S/C23H19N3O2S/c1-29-21-12-17(13-28-21)20-11-16(23(27)26-18-5-3-2-4-6-18)9-14-7-8-15(22(24)25)10-19(14)20/h2-13H,1H3,(H3,24,25)(H,26,27)
InChIKeyKLKFHGGCLXSCLN-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.36
Rot. Bonds5

About 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide

6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide (PubChem CID 10225096) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
PubChem CID10225096
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(SC)c3)c2c1
InChIInChI=1S/C23H19N3O2S/c1-29-21-12-17(13-28-21)20-11-16(23(27)26-18-5-3-2-4-6-18)9-14-7-8-15(22(24)25)10-19(14)20/h2-13H,1H3,(H3,24,25)(H,26,27)
InChIKeyKLKFHGGCLXSCLN-UHFFFAOYSA-N
XLogP5.36
TPSA92.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride
CID 10140846
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 10278413
6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride
CID 162325916
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 70068069
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoylnaphthalen-1-yl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 74763879
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide (CID 10225096) is 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(SC)c3)c2c1.
What is the InChIKey of 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide?
The InChIKey is KLKFHGGCLXSCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-29-21-12-17(13-28-21)20-11-16(23(27)26-18-5-3-2-4-6-18)9-14-7-8-15(22(24)25)10-19(14)20/h2-13H,1H3,(H3,24,25)(H,26,27).
What are the key properties of 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide?
6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 10225096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).