(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

C23H28N2O5S — CID 33310401

IUPAC(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)ccc1OCC(C)C
InChIInChI=1S/C23H28N2O5S/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(26)24-19-5-4-6-20(14-19)31(27,28)25-18-9-10-18/h4-8,11-14,16,18,25H,9-10,15H2,1-3H3,(H,24,26)/b12-8+
InChIKeyKXAWKPAHYGDYMO-XYOKQWHBSA-N
MW444.55 g/mol
LogP3.82
Rot. Bonds10

About (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (PubChem CID 33310401) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
PubChem CID33310401
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)ccc1OCC(C)C
InChIInChI=1S/C23H28N2O5S/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(26)24-19-5-4-6-20(14-19)31(27,28)25-18-9-10-18/h4-8,11-14,16,18,25H,9-10,15H2,1-3H3,(H,24,26)/b12-8+
InChIKeyKXAWKPAHYGDYMO-XYOKQWHBSA-N
XLogP3.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55573525
methyl 4-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 18277917
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24673568
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9071708
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26993761
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 8961562
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (CID 33310401) is (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)ccc1OCC(C)C.
What is the InChIKey of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The InChIKey is KXAWKPAHYGDYMO-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(26)24-19-5-4-6-20(14-19)31(27,28)25-18-9-10-18/h4-8,11-14,16,18,25H,9-10,15H2,1-3H3,(H,24,26)/b12-8+.
What are the key properties of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide has a molecular weight of 444.55 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 33310401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).