(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide

C17H18N2O3S — CID 59571949

IUPAC(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
SMILESCNC(=O)C/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-6-8-14-7-5-11-16(13-14)23(21,22)19-15-9-3-2-4-10-15/h2-11,13,19H,12H2,1H3,(H,18,20)/b8-6+
InChIKeyPODDHRKWDHMLJD-SOFGYWHQSA-N
MW330.41 g/mol
LogP2.64
Rot. Bonds6

About (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide

(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide (PubChem CID 59571949) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
PubChem CID59571949
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
SMILESCNC(=O)C/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-6-8-14-7-5-11-16(13-14)23(21,22)19-15-9-3-2-4-10-15/h2-11,13,19H,12H2,1H3,(H,18,20)/b8-6+
InChIKeyPODDHRKWDHMLJD-SOFGYWHQSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-formyl-N-phenylbenzenesulfonamide
CID 22601475
(E)-3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 22492405
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
3-[3-[[3-(methylamino)-3-oxopropyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 76927143
N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide
CID 146319188
(Z)-2-fluoro-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 53302516
3-[3-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 3530027
1-methyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075994
methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
4-(3-propan-2-ylsulfonylphenyl)but-3-enoic acid
CID 170484361
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide?
The IUPAC name of (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide (CID 59571949) is (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide.
What is the SMILES notation for (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide?
The canonical SMILES for (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide is CNC(=O)C/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide?
The InChIKey is PODDHRKWDHMLJD-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-17(20)12-6-8-14-7-5-11-16(13-14)23(21,22)19-15-9-3-2-4-10-15/h2-11,13,19H,12H2,1H3,(H,18,20)/b8-6+.
What are the key properties of (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide?
(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide has a molecular weight of 330.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide is sourced from PubChem (CID 59571949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).