(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide

C23H17NO4S2 — CID 10113842

IUPAC(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H17NO4S2/c25-22(24-30(26,27)23-10-5-15-29-23)14-12-18-7-3-4-9-21(18)28-20-13-11-17-6-1-2-8-19(17)16-20/h1-16H,(H,24,25)/b14-12+
InChIKeyRGDFCFNBLXTBAF-WYMLVPIESA-N
MW435.53 g/mol
LogP5.21
Rot. Bonds6

About (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 10113842) has the molecular formula C23H17NO4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID10113842
Molecular FormulaC23H17NO4S2
Molecular Weight435.53 g/mol
Exact Mass435.06
IUPAC Name(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H17NO4S2/c25-22(24-30(26,27)23-10-5-15-29-23)14-12-18-7-3-4-9-21(18)28-20-13-11-17-6-1-2-8-19(17)16-20/h1-16H,(H,24,25)/b14-12+
InChIKeyRGDFCFNBLXTBAF-WYMLVPIESA-N
XLogP5.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.21
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

(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
CID 46885653
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
3-[2-[(4-methylsulfanylphenyl)methyl]phenyl]-N-thiophen-2-ylsulfonylprop-2-enamide
CID 70231371
N-thiophen-2-ylsulfonylprop-2-enamide
CID 139972027
(E)-3-[1-[(2,4-dichlorophenyl)methyl]indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
CID 44626877
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
ethane;(E)-3-[2-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]phenyl]-N-thiophen-2-ylsulfonylprop-2-enamide
CID 142092812
(Z)-N-thiophen-2-ylsulfonylhex-2-enamide
CID 97377755
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide (CID 10113842) is (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1ccccc1Oc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is RGDFCFNBLXTBAF-WYMLVPIESA-N. The full InChI is InChI=1S/C23H17NO4S2/c25-22(24-30(26,27)23-10-5-15-29-23)14-12-18-7-3-4-9-21(18)28-20-13-11-17-6-1-2-8-19(17)16-20/h1-16H,(H,24,25)/b14-12+.
What are the key properties of (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 435.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 10113842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).