N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide

C21H19NO3S — CID 56528892

IUPACN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO3S/c1-2-26(24,25)22-19-13-10-18(11-14-19)21(23)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15,22H,2H2,1H3/b15-12+
InChIKeyNHVSHNLFJVMAIX-NTCAYCPXSA-N
MW365.45 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide

N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide (PubChem CID 56528892) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
PubChem CID56528892
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO3S/c1-2-26(24,25)22-19-13-10-18(11-14-19)21(23)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15,22H,2H2,1H3/b15-12+
InChIKeyNHVSHNLFJVMAIX-NTCAYCPXSA-N
XLogP4.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
CID 56583223
N-[4-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56583647
2-[methyl-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfonylamino]acetic acid
CID 24650373
N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528764
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide (CID 56528892) is N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide?
The InChIKey is NHVSHNLFJVMAIX-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-2-26(24,25)22-19-13-10-18(11-14-19)21(23)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15,22H,2H2,1H3/b15-12+.
What are the key properties of N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide?
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 56528892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).