6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride

C24H22ClN3O4S — CID 10140846

IUPAC6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(S(=O)(=O)CC)c3)c2c1
InChIInChI=1S/C24H21N3O4S.ClH/c1-2-32(29,30)22-13-18(14-31-22)21-12-17(24(28)27-19-6-4-3-5-7-19)10-15-8-9-16(23(25)26)11-20(15)21;/h3-14H,2H2,1H3,(H3,25,26)(H,27,28);1H
InChIKeyLEWVLUFXZBFIFF-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.85
Rot. Bonds6

About 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride

6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride (PubChem CID 10140846) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride
PubChem CID10140846
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(S(=O)(=O)CC)c3)c2c1
InChIInChI=1S/C24H21N3O4S.ClH/c1-2-32(29,30)22-13-18(14-31-22)21-12-17(24(28)27-19-6-4-3-5-7-19)10-15-8-9-16(23(25)26)11-20(15)21;/h3-14H,2H2,1H3,(H3,25,26)(H,27,28);1H
InChIKeyLEWVLUFXZBFIFF-UHFFFAOYSA-N
XLogP4.85
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
CID 10225096
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973
6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride
CID 162325916
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-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
methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoylnaphthalen-1-yl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 74763879
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
2-(6-carbamimidoylnaphthalen-2-yl)-2-phenylacetic acid;methanesulfonic acid
CID 162176375

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride (CID 10140846) is 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3coc(S(=O)(=O)CC)c3)c2c1.
What is the InChIKey of 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The InChIKey is LEWVLUFXZBFIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S.ClH/c1-2-32(29,30)22-13-18(14-31-22)21-12-17(24(28)27-19-6-4-3-5-7-19)10-15-8-9-16(23(25)26)11-20(15)21;/h3-14H,2H2,1H3,(H3,25,26)(H,27,28);1H.
What are the key properties of 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride?
6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride has a molecular weight of 483.98 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 10140846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).