(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

C16H18N2O3S2 — CID 9428195

IUPAC(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C16H18N2O3S2/c1-12-4-7-14(22-12)8-11-16(19)17-13-5-9-15(10-6-13)23(20,21)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-8+
InChIKeyQFKODEJGHPSOKW-DHZHZOJOSA-N
MW350.47 g/mol
LogP2.96
Rot. Bonds5

About (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9428195) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID9428195
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C16H18N2O3S2/c1-12-4-7-14(22-12)8-11-16(19)17-13-5-9-15(10-6-13)23(20,21)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-8+
InChIKeyQFKODEJGHPSOKW-DHZHZOJOSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
2-[4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]phenyl]acetic acid
CID 43242110
N,N-dimethyl-3-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 9427950
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8917840
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9328746
3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789534
2-fluoro-4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791514
(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 9403990
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 9428195) is (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1.
What is the InChIKey of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is QFKODEJGHPSOKW-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12-4-7-14(22-12)8-11-16(19)17-13-5-9-15(10-6-13)23(20,21)18(2)3/h4-11H,1-3H3,(H,17,19)/b11-8+.
What are the key properties of (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 350.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9428195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).