(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide

C20H23NO4S — CID 99998752

IUPAC(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23NO4S/c1-4-18(15-9-12-17(13-10-15)26(3,23)24)21-20(22)14-11-16-7-5-6-8-19(16)25-2/h5-14,18H,4H2,1-3H3,(H,21,22)/b14-11+/t18-/m1/s1
InChIKeyCNAIVEWGQYWGSU-GPZRYRNASA-N
MW373.47 g/mol
LogP3.38
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide (PubChem CID 99998752) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
PubChem CID99998752
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23NO4S/c1-4-18(15-9-12-17(13-10-15)26(3,23)24)21-20(22)14-11-16-7-5-6-8-19(16)25-2/h5-14,18H,4H2,1-3H3,(H,21,22)/b14-11+/t18-/m1/s1
InChIKeyCNAIVEWGQYWGSU-GPZRYRNASA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.38
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)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 40618833
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
1-(3-methoxy-2-pyridinyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216727
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide (CID 99998752) is (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide is CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide?
The InChIKey is CNAIVEWGQYWGSU-GPZRYRNASA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-18(15-9-12-17(13-10-15)26(3,23)24)21-20(22)14-11-16-7-5-6-8-19(16)25-2/h5-14,18H,4H2,1-3H3,(H,21,22)/b14-11+/t18-/m1/s1.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide has a molecular weight of 373.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide is sourced from PubChem (CID 99998752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).