N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide

C25H27N3O5S — CID 155303787

IUPACN-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide
SMILESC=C(C)C(C(=O)Nc1cccc(-c2ccco2)c1)C(=O)N(C)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C25H27N3O5S/c1-17(2)23(24(29)26-19-10-6-9-18(15-19)22-13-8-14-33-22)25(30)28(5)20-11-7-12-21(16-20)34(31,32)27(3)4/h6-16,23H,1H2,2-5H3,(H,26,29)
InChIKeyWYYOGSJRVNQREC-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.99
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide

N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide (PubChem CID 155303787) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide
PubChem CID155303787
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide
SMILESC=C(C)C(C(=O)Nc1cccc(-c2ccco2)c1)C(=O)N(C)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C25H27N3O5S/c1-17(2)23(24(29)26-19-10-6-9-18(15-19)22-13-8-14-33-22)25(30)28(5)20-11-7-12-21(16-20)34(31,32)27(3)4/h6-16,23H,1H2,2-5H3,(H,26,29)
InChIKeyWYYOGSJRVNQREC-UHFFFAOYSA-N
XLogP3.99
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
CID 176781463
4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide
CID 168524863
N,N-dimethylazulene-5-sulfonamide
CID 67469153
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8918828
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
[(1R)-2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 8683336
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
3-(furan-2-yl)-N-methyl-N-phenylbenzamide
CID 168526169
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78732784
N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 71984777
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide (CID 155303787) is N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide is C=C(C)C(C(=O)Nc1cccc(-c2ccco2)c1)C(=O)N(C)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide?
The InChIKey is WYYOGSJRVNQREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17(2)23(24(29)26-19-10-6-9-18(15-19)22-13-8-14-33-22)25(30)28(5)20-11-7-12-21(16-20)34(31,32)27(3)4/h6-16,23H,1H2,2-5H3,(H,26,29).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide?
N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide has a molecular weight of 481.57 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-N'-[3-(furan-2-yl)phenyl]-N-methyl-2-prop-1-en-2-ylpropanediamide is sourced from PubChem (CID 155303787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).