N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C23H21ClN2O4S — CID 2973027

IUPACN-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H21ClN2O4S/c1-3-15-26(31(2,28)29)19-12-9-17(10-13-19)23(27)25-21-16-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h3-14,16H,1,15H2,2H3,(H,25,27)
InChIKeyFEXUVCDHXYSUGT-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.34
Rot. Bonds8

About N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 2973027) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID2973027
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H21ClN2O4S/c1-3-15-26(31(2,28)29)19-12-9-17(10-13-19)23(27)25-21-16-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h3-14,16H,1,15H2,2H3,(H,25,27)
InChIKeyFEXUVCDHXYSUGT-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
CID 9172914
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
CID 21372436
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 5023290
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787270
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 2973027) is N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is FEXUVCDHXYSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-3-15-26(31(2,28)29)19-12-9-17(10-13-19)23(27)25-21-16-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h3-14,16H,1,15H2,2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 456.95 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 2973027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).