(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C21H24N2O5S — CID 33160805

IUPAC(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C21H24N2O5S/c1-14-4-9-19(27-2)15(12-14)5-11-21(24)22-18-13-17(8-10-20(18)28-3)29(25,26)23-16-6-7-16/h4-5,8-13,16,23H,6-7H2,1-3H3,(H,22,24)/b11-5+
InChIKeyPRLNWVYDAPCTSA-VZUCSPMQSA-N
MW416.50 g/mol
LogP3.10
Rot. Bonds8

About (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 33160805) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID33160805
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C21H24N2O5S/c1-14-4-9-19(27-2)15(12-14)5-11-21(24)22-18-13-17(8-10-20(18)28-3)29(25,26)23-16-6-7-16/h4-5,8-13,16,23H,6-7H2,1-3H3,(H,22,24)/b11-5+
InChIKeyPRLNWVYDAPCTSA-VZUCSPMQSA-N
XLogP3.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.10
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

(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 30390267
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 33160805) is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC.
What is the InChIKey of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is PRLNWVYDAPCTSA-VZUCSPMQSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14-4-9-19(27-2)15(12-14)5-11-21(24)22-18-13-17(8-10-20(18)28-3)29(25,26)23-16-6-7-16/h4-5,8-13,16,23H,6-7H2,1-3H3,(H,22,24)/b11-5+.
What are the key properties of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 416.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 33160805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).