N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide

C23H24N6O4S — CID 176781463

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1cccc(-c2cnccn2)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H24N6O4S/c1-15(24)21(23(31)28-18-8-5-9-19(13-18)34(32,33)29(2)3)22(30)27-17-7-4-6-16(12-17)20-14-25-10-11-26-20/h4-14,21,24H,1-3H3,(H,27,30)(H,28,31)/b24-15+
InChIKeyFHNZPLCTXHFICU-BUVRLJJBSA-N
MW480.55 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide

N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide (PubChem CID 176781463) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
PubChem CID176781463
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1cccc(-c2cnccn2)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H24N6O4S/c1-15(24)21(23(31)28-18-8-5-9-19(13-18)34(32,33)29(2)3)22(30)27-17-7-4-6-16(12-17)20-14-25-10-11-26-20/h4-14,21,24H,1-3H3,(H,27,30)(H,28,31)/b24-15+
InChIKeyFHNZPLCTXHFICU-BUVRLJJBSA-N
XLogP2.63
TPSA145.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-imino-2-[(3-pyrazin-2-ylphenyl)carbamoyl]butanoyl]amino]benzoate
CID 176781423
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
CID 176781456
N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
CID 155721712
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
methyl 3-[ethenyl-[3-methyl-2-[(3-pyrazin-2-ylphenyl)carbamoyl]but-3-enoyl]amino]benzoate
CID 155304324
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709554
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583
N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide
CID 158985545
N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide
CID 155303787

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide (CID 176781463) is N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide is [H]/N=C(\C)C(C(=O)Nc1cccc(-c2cnccn2)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide?
The InChIKey is FHNZPLCTXHFICU-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-15(24)21(23(31)28-18-8-5-9-19(13-18)34(32,33)29(2)3)22(30)27-17-7-4-6-16(12-17)20-14-25-10-11-26-20/h4-14,21,24H,1-3H3,(H,27,30)(H,28,31)/b24-15+.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide has a molecular weight of 480.55 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide is sourced from PubChem (CID 176781463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).