(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide

C19H18Cl2N2O4S — CID 30390267

IUPAC(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4S/c1-27-18-8-7-15(28(25,26)23-14-5-6-14)11-17(18)22-19(24)9-3-12-2-4-13(20)10-16(12)21/h2-4,7-11,14,23H,5-6H2,1H3,(H,22,24)/b9-3+
InChIKeyVDMMTUSRUXHXQG-YCRREMRBSA-N
MW441.34 g/mol
LogP4.09
Rot. Bonds7

About (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 30390267) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID30390267
Molecular FormulaC19H18Cl2N2O4S
Molecular Weight441.34 g/mol
Exact Mass440.04
IUPAC Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4S/c1-27-18-8-7-15(28(25,26)23-14-5-6-14)11-17(18)22-19(24)9-3-12-2-4-13(20)10-16(12)21/h2-4,7-11,14,23H,5-6H2,1H3,(H,22,24)/b9-3+
InChIKeyVDMMTUSRUXHXQG-YCRREMRBSA-N
XLogP4.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-5-methylphenyl)prop-2-enamide
CID 33160805
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
methyl 5-chloro-4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-2-methoxybenzoate
CID 1183481
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide (CID 30390267) is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is VDMMTUSRUXHXQG-YCRREMRBSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-27-18-8-7-15(28(25,26)23-14-5-6-14)11-17(18)22-19(24)9-3-12-2-4-13(20)10-16(12)21/h2-4,7-11,14,23H,5-6H2,1H3,(H,22,24)/b9-3+.
What are the key properties of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 441.34 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 30390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).