N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide

C20H21NO3S — CID 56583223

IUPACN-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C20H21NO3S/c1-3-25(23,24)21-19-12-10-18(11-13-19)20(22)14-9-16(2)15-17-7-5-4-6-8-17/h4-15,21H,3H2,1-2H3/b14-9+,16-15+
InChIKeyKBZVFWQELHQQRR-MPKFQDELSA-N
MW355.46 g/mol
LogP4.29
Rot. Bonds7

About N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide

N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide (PubChem CID 56583223) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
PubChem CID56583223
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C20H21NO3S/c1-3-25(23,24)21-19-12-10-18(11-13-19)20(22)14-9-16(2)15-17-7-5-4-6-8-17/h4-15,21H,3H2,1-2H3/b14-9+,16-15+
InChIKeyKBZVFWQELHQQRR-MPKFQDELSA-N
XLogP4.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528764
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
methyl 2-[5-[(E)-3-[4-(ethylsulfonylamino)phenyl]-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 56583518
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
N-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528886
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528838

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide (CID 56583223) is N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide?
The InChIKey is KBZVFWQELHQQRR-MPKFQDELSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-3-25(23,24)21-19-12-10-18(11-13-19)20(22)14-9-16(2)15-17-7-5-4-6-8-17/h4-15,21H,3H2,1-2H3/b14-9+,16-15+.
What are the key properties of N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide?
N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 56583223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).