(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide

C23H26N2O4S — CID 17227080

IUPAC(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-4-17-25(18-5-2)30(27,28)22-14-10-20(11-15-22)24-23(26)16-9-19-7-12-21(13-8-19)29-6-3/h4-5,7-16H,1-2,6,17-18H2,3H3,(H,24,26)/b16-9+
InChIKeyAPVWWQPBWHFXQY-CXUHLZMHSA-N
MW426.54 g/mol
LogP4.10
Rot. Bonds11

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

(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 17227080) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID17227080
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-4-17-25(18-5-2)30(27,28)22-14-10-20(11-15-22)24-23(26)16-9-19-7-12-21(13-8-19)29-6-3/h4-5,7-16H,1-2,6,17-18H2,3H3,(H,24,26)/b16-9+
InChIKeyAPVWWQPBWHFXQY-CXUHLZMHSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide (CID 17227080) is (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is APVWWQPBWHFXQY-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-4-17-25(18-5-2)30(27,28)22-14-10-20(11-15-22)24-23(26)16-9-19-7-12-21(13-8-19)29-6-3/h4-5,7-16H,1-2,6,17-18H2,3H3,(H,24,26)/b16-9+.
What are the key properties of (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 426.54 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17227080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).