(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C18H23N3O4S — CID 31893838

IUPAC(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1
InChIInChI=1S/C18H23N3O4S/c1-13-6-7-14(25-13)8-11-18(22)19-16-12-15(26(23,24)21(4)5)9-10-17(16)20(2)3/h6-12H,1-5H3,(H,19,22)/b11-8+
InChIKeySNTOPNDZXBABBY-DHZHZOJOSA-N
MW377.47 g/mol
LogP2.56
Rot. Bonds6

About (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 31893838) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID31893838
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1
InChIInChI=1S/C18H23N3O4S/c1-13-6-7-14(25-13)8-11-18(22)19-16-12-15(26(23,24)21(4)5)9-10-17(16)20(2)3/h6-12H,1-5H3,(H,19,22)/b11-8+
InChIKeySNTOPNDZXBABBY-DHZHZOJOSA-N
XLogP2.56
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 95781104
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
(E)-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6171532
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47745684
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 31893838) is (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is SNTOPNDZXBABBY-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-6-7-14(25-13)8-11-18(22)19-16-12-15(26(23,24)21(4)5)9-10-17(16)20(2)3/h6-12H,1-5H3,(H,19,22)/b11-8+.
What are the key properties of (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 377.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 31893838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).