(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide

C16H20N2O3S — CID 31245132

IUPAC(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-12-18(13-5-2)16(19)11-8-14-6-9-15(10-7-14)17-22(3,20)21/h4-11,17H,1-2,12-13H2,3H3/b11-8+
InChIKeyOSJRACOQFDMEQU-DHZHZOJOSA-N
MW320.41 g/mol
LogP2.27
Rot. Bonds8

About (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide

(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 31245132) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID31245132
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-12-18(13-5-2)16(19)11-8-14-6-9-15(10-7-14)17-22(3,20)21/h4-11,17H,1-2,12-13H2,3H3/b11-8+
InChIKeyOSJRACOQFDMEQU-DHZHZOJOSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3616986
(E)-N-[(2R)-2-cyanopropyl]-N-ethyl-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51983675
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 76870664
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
2-[3-(4-ethylphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79262075
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
CID 46564044
4-[3-[4-(methanesulfonamido)phenyl]prop-2-enoylamino]butanoic acid
CID 91942717
ethyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-prop-2-enylamino]acetate
CID 115538904
N-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 18149857

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide (CID 31245132) is (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is OSJRACOQFDMEQU-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-12-18(13-5-2)16(19)11-8-14-6-9-15(10-7-14)17-22(3,20)21/h4-11,17H,1-2,12-13H2,3H3/b11-8+.
What are the key properties of (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide?
(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 320.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 31245132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).