3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide

C18H20N2O4S — CID 71820192

IUPAC3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-20(25(3,22)23)16-6-4-5-15(13-16)19-18(21)12-9-14-7-10-17(24-2)11-8-14/h4-13H,1-3H3,(H,19,21)
InChIKeyDAKQSQOWDPZXPA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.74
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide

3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide (PubChem CID 71820192) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide
PubChem CID71820192
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-20(25(3,22)23)16-6-4-5-15(13-16)19-18(21)12-9-14-7-10-17(24-2)11-8-14/h4-13H,1-3H3,(H,19,21)
InChIKeyDAKQSQOWDPZXPA-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.74
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-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
1-[2-(4-methoxy-N-methylanilino)ethyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100754476
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314395
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide (CID 71820192) is 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide is COc1ccc(C=CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide?
The InChIKey is DAKQSQOWDPZXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-20(25(3,22)23)16-6-4-5-15(13-16)19-18(21)12-9-14-7-10-17(24-2)11-8-14/h4-13H,1-3H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide?
3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 71820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).